Home > Compound List > Compound details
MFCD01570809 molecular structure
click picture or here to close

methyl 3-[3-(cyclopentyloxy)-4-methoxyphenyl]prop-2-enoate

ChemBase ID: 91944
Molecular Formular: C16H20O4
Molecular Mass: 276.3276
Monoisotopic Mass: 276.13615912
SMILES and InChIs

SMILES:
O(c1c(ccc(c1)/C=C/C(=O)OC)OC)C1CCCC1
Canonical SMILES:
COC(=O)/C=C/c1ccc(c(c1)OC1CCCC1)OC
InChI:
InChI=1S/C16H20O4/c1-18-14-9-7-12(8-10-16(17)19-2)11-15(14)20-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3
InChIKey:
GFRBHAWHFNSOCC-UHFFFAOYSA-N

Cite this record

CBID:91944 http://www.chembase.cn/molecule-91944.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-[3-(cyclopentyloxy)-4-methoxyphenyl]prop-2-enoate
IUPAC Traditional name
methyl 3-[3-(cyclopentyloxy)-4-methoxyphenyl]prop-2-enoate
Synonyms
Methyl 3-[3-(cyclopentyloxy)-4-methoxyphenyl]acrylate 97%
MDL Number
MFCD01570809
PubChem SID
162078642
PubChem CID
5702848

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR8124 external link Add to cart Please log in.
Data Source Data ID
PubChem 5702848 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.554673  LogD (pH = 7.4) 3.554673 
Log P 3.554673  Molar Refractivity 77.1686 cm3
Polarizability 29.963566 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
54-57°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle