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MFCD07775023 molecular structure
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4-(2-chloroprop-2-en-1-yl)-2-fluoro-1-methoxybenzene

ChemBase ID: 100198
Molecular Formular: C10H10ClFO
Molecular Mass: 200.6372032
Monoisotopic Mass: 200.04042084
SMILES and InChIs

SMILES:
O(c1c(cc(cc1)CC(=C)Cl)F)C
Canonical SMILES:
COc1ccc(cc1F)CC(=C)Cl
InChI:
InChI=1S/C10H10ClFO/c1-7(11)5-8-3-4-10(13-2)9(12)6-8/h3-4,6H,1,5H2,2H3
InChIKey:
FXJQBEAMSCXWBQ-UHFFFAOYSA-N

Cite this record

CBID:100198 http://www.chembase.cn/molecule-100198.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-chloroprop-2-en-1-yl)-2-fluoro-1-methoxybenzene
IUPAC Traditional name
4-(2-chloroprop-2-en-1-yl)-2-fluoro-1-methoxybenzene
Synonyms
2-Chloro-3-(3-fluoro-4-methoxyphenyl)prop-1-ene
4-(2-Chloroallyl)-2-fluoroanisole
MDL Number
MFCD07775023
PubChem SID
162086352
PubChem CID
24721746

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC8392 external link Add to cart Please log in.
Data Source Data ID
PubChem 24721746 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.137703  LogD (pH = 7.4) 3.137703 
Log P 3.137703  Molar Refractivity 51.8951 cm3
Polarizability 19.639284 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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