4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol

C22H18ClFO2 — CID 162640320

IUPAC4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol
SMILESCOc1cc(/C(C)=C(/c2ccc(O)cc2)c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C22H18ClFO2/c1-14(17-7-12-20(24)21(13-17)26-2)22(15-3-8-18(23)9-4-15)16-5-10-19(25)11-6-16/h3-13,25H,1-2H3/b22-14+
InChIKeyUUYHSDUHEDYNNN-HYARGMPZSA-N
MW368.84 g/mol
LogP6.17
Rot. Bonds4

About 4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol

4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol (PubChem CID 162640320) has the molecular formula C22H18ClFO2 and a molecular weight of 368.84 g/mol. Its IUPAC name is 4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol
PubChem CID162640320
Molecular FormulaC22H18ClFO2
Molecular Weight368.84 g/mol
Exact Mass368.10
IUPAC Name4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol
SMILESCOc1cc(/C(C)=C(/c2ccc(O)cc2)c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C22H18ClFO2/c1-14(17-7-12-20(24)21(13-17)26-2)22(15-3-8-18(23)9-4-15)16-5-10-19(25)11-6-16/h3-13,25H,1-2H3/b22-14+
InChIKeyUUYHSDUHEDYNNN-HYARGMPZSA-N
XLogP6.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.84
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Chlorotrianisene
CID 11289
1,1'-(Chlorophenylmethylene)bis(4-methoxybenzene)
CID 96831
5-(4-methoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 21868866
4,4',4''-Trimethoxytrityl chloride
CID 630505
4-(2-methoxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenol
CID 13720325
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067155
4-[2-(4-Chlorophenyl)ethyl]-1,2-dimethoxybenzene
CID 49844701
Benzeneethanol, beta-(4-((4-chlorophenyl)methyl)phenoxy)-, (+-)-
CID 3054653
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(4-fluorophenoxy)-
CID 3067115
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(2-fluorophenoxy)-
CID 3067121
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(4-methylphenoxy)-
CID 3067126
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(3-methylphenoxy)-
CID 3067133

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol (CID 162640320) is 4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol is COc1cc(/C(C)=C(/c2ccc(O)cc2)c2ccc(Cl)cc2)ccc1F.
What is the InChIKey of 4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol?
The InChIKey is UUYHSDUHEDYNNN-HYARGMPZSA-N. The full InChI is InChI=1S/C22H18ClFO2/c1-14(17-7-12-20(24)21(13-17)26-2)22(15-3-8-18(23)9-4-15)16-5-10-19(25)11-6-16/h3-13,25H,1-2H3/b22-14+.
What are the key properties of 4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol?
4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol has a molecular weight of 368.84 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenol is sourced from PubChem (CID 162640320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).