Home > Compound List > Compound details
74316-94-2 molecular structure
click picture or here to close

1-(3-butoxyphenyl)cyclopentane-1-carboxylic acid

ChemBase ID: 310687
Molecular Formular: C16H22O3
Molecular Mass: 262.34408
Monoisotopic Mass: 262.15689456
SMILES and InChIs

SMILES:
C1(C(=O)O)(c2cc(OCCCC)ccc2)CCCC1
Canonical SMILES:
CCCCOc1cccc(c1)C1(CCCC1)C(=O)O
InChI:
InChI=1S/C16H22O3/c1-2-3-11-19-14-8-6-7-13(12-14)16(15(17)18)9-4-5-10-16/h6-8,12H,2-5,9-11H2,1H3,(H,17,18)
InChIKey:
BMLFANTYXLEGAZ-UHFFFAOYSA-N

Cite this record

CBID:310687 http://www.chembase.cn/molecule-310687.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-butoxyphenyl)cyclopentane-1-carboxylic acid
IUPAC Traditional name
1-(3-butoxyphenyl)cyclopentane-1-carboxylic acid
Synonyms
1-(3-butoxyphenyl)cyclopentanecarboxylic acid
CAS Number
74316-94-2
MDL Number
MFCD00431948

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5238076 external link Add to cart
Data Source Data ID Price
ChemBridge
5238076 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0057597  LogD (pH = 7.4) 1.2847414 
Log P 4.301634  Molar Refractivity 74.1777 cm3
Polarizability 29.195385 Å3 Polar Surface Area 46.53 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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