[(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate

C17H15FO3 — CID 139471653

IUPAC[(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate
SMILESCc1ccccc1/C(=C(/CO)OC=O)c1cccc(F)c1
InChIInChI=1S/C17H15FO3/c1-12-5-2-3-8-15(12)17(16(10-19)21-11-20)13-6-4-7-14(18)9-13/h2-9,11,19H,10H2,1H3/b17-16-
InChIKeyPFNKRSKIUNCDLY-MSUUIHNZSA-N
MW286.30 g/mol
LogP3.06
Rot. Bonds5

About [(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate

[(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate (PubChem CID 139471653) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is [(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate.

Molecular Properties

Compound Name[(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate
PubChem CID139471653
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name[(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate
SMILESCc1ccccc1/C(=C(/CO)OC=O)c1cccc(F)c1
InChIInChI=1S/C17H15FO3/c1-12-5-2-3-8-15(12)17(16(10-19)21-11-20)13-6-4-7-14(18)9-13/h2-9,11,19H,10H2,1H3/b17-16-
InChIKeyPFNKRSKIUNCDLY-MSUUIHNZSA-N
XLogP3.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
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[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
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[(Z)-1-(2-methylphenyl)prop-1-enyl] formate
CID 142267144
2-chloro-N-[2-(3-fluorophenyl)-2-oxoethyl]benzamide
CID 134123734
1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene
CID 59664125
(Z)-3-(3-fluorophenyl)pent-2-enal
CID 115015109
methyl 3-fluorobenzoate
CID 521184
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
CID 94280945
2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone
CID 175031388
[2-(3-fluorophenyl)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 8675962

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate?
The IUPAC name of [(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate (CID 139471653) is [(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate.
What is the SMILES notation for [(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate?
The canonical SMILES for [(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate is Cc1ccccc1/C(=C(/CO)OC=O)c1cccc(F)c1.
What is the InChIKey of [(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate?
The InChIKey is PFNKRSKIUNCDLY-MSUUIHNZSA-N. The full InChI is InChI=1S/C17H15FO3/c1-12-5-2-3-8-15(12)17(16(10-19)21-11-20)13-6-4-7-14(18)9-13/h2-9,11,19H,10H2,1H3/b17-16-.
What are the key properties of [(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate?
[(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate has a molecular weight of 286.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate is sourced from PubChem (CID 139471653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).