(4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate

C23H18ClFO3 — CID 3526396

IUPAC(4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
SMILESO=C(C=Cc1ccc(OCc2ccccc2Cl)cc1)OCc1ccc(F)cc1
InChIInChI=1S/C23H18ClFO3/c24-22-4-2-1-3-19(22)16-27-21-12-7-17(8-13-21)9-14-23(26)28-15-18-5-10-20(25)11-6-18/h1-14H,15-16H2
InChIKeyWYRGURWUSQMSAZ-UHFFFAOYSA-N
MW396.85 g/mol
LogP5.81
Rot. Bonds7

About (4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate

(4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate (PubChem CID 3526396) has the molecular formula C23H18ClFO3 and a molecular weight of 396.85 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
PubChem CID3526396
Molecular FormulaC23H18ClFO3
Molecular Weight396.85 g/mol
Exact Mass396.09
IUPAC Name(4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
SMILESO=C(C=Cc1ccc(OCc2ccccc2Cl)cc1)OCc1ccc(F)cc1
InChIInChI=1S/C23H18ClFO3/c24-22-4-2-1-3-19(22)16-27-21-12-7-17(8-13-21)9-14-23(26)28-15-18-5-10-20(25)11-6-18/h1-14H,15-16H2
InChIKeyWYRGURWUSQMSAZ-UHFFFAOYSA-N
XLogP5.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.85
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 4050081
ethyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684542
methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 17245052
[2-(2-methoxyanilino)-2-oxoethyl] 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 3564860
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 1194598
[[(E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoyl]amino]thiourea
CID 102535052
(2-chlorophenyl)methyl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 7574706
3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 53456323
1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one
CID 141480414
(4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486348
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 131847800
(4-fluorophenyl)methyl (E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoate
CID 38816541

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate?
The IUPAC name of (4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate (CID 3526396) is (4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate.
What is the SMILES notation for (4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate?
The canonical SMILES for (4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate is O=C(C=Cc1ccc(OCc2ccccc2Cl)cc1)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate?
The InChIKey is WYRGURWUSQMSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFO3/c24-22-4-2-1-3-19(22)16-27-21-12-7-17(8-13-21)9-14-23(26)28-15-18-5-10-20(25)11-6-18/h1-14H,15-16H2.
What are the key properties of (4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate?
(4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate has a molecular weight of 396.85 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 3526396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).