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

C22H18ClFO2 — CID 162640275

IUPAC4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenol
SMILESCOc1ccc(/C(C)=C(/c2ccc(O)cc2)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C22H18ClFO2/c1-14(17-7-12-21(26-2)20(24)13-17)22(15-3-8-18(23)9-4-15)16-5-10-19(25)11-6-16/h3-13,25H,1-2H3/b22-14+
InChIKeyNWVAPHFFGSEXRP-HYARGMPZSA-N
MW368.84 g/mol
LogP6.17
Rot. Bonds4

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

4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenol (PubChem CID 162640275) has the molecular formula C22H18ClFO2 and a molecular weight of 368.84 g/mol. Its IUPAC name is 4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenol
PubChem CID162640275
Molecular FormulaC22H18ClFO2
Molecular Weight368.84 g/mol
Exact Mass368.10
IUPAC Name4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenol
SMILESCOc1ccc(/C(C)=C(/c2ccc(O)cc2)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C22H18ClFO2/c1-14(17-7-12-21(26-2)20(24)13-17)22(15-3-8-18(23)9-4-15)16-5-10-19(25)11-6-16/h3-13,25H,1-2H3/b22-14+
InChIKeyNWVAPHFFGSEXRP-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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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenol (CID 162640275) is 4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenol is COc1ccc(/C(C)=C(/c2ccc(O)cc2)c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenol?
The InChIKey is NWVAPHFFGSEXRP-HYARGMPZSA-N. The full InChI is InChI=1S/C22H18ClFO2/c1-14(17-7-12-21(26-2)20(24)13-17)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-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenol?
4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-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-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenol is sourced from PubChem (CID 162640275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).