2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol

C22H19ClO3 — CID 71593142

IUPAC2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol
SMILESCOc1ccc(C(O)(/C=C/c2ccc(Cl)cc2)c2ccccc2O)cc1
InChIInChI=1S/C22H19ClO3/c1-26-19-12-8-17(9-13-19)22(25,20-4-2-3-5-21(20)24)15-14-16-6-10-18(23)11-7-16/h2-15,24-25H,1H3/b15-14+
InChIKeyUAUQAOCTNYKCEH-CCEZHUSRSA-N
MW366.84 g/mol
LogP5.00
Rot. Bonds5

About 2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol

2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol (PubChem CID 71593142) has the molecular formula C22H19ClO3 and a molecular weight of 366.84 g/mol. Its IUPAC name is 2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol.

Molecular Properties

Compound Name2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol
PubChem CID71593142
Molecular FormulaC22H19ClO3
Molecular Weight366.84 g/mol
Exact Mass366.10
IUPAC Name2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol
SMILESCOc1ccc(C(O)(/C=C/c2ccc(Cl)cc2)c2ccccc2O)cc1
InChIInChI=1S/C22H19ClO3/c1-26-19-12-8-17(9-13-19)22(25,20-4-2-3-5-21(20)24)15-14-16-6-10-18(23)11-7-16/h2-15,24-25H,1H3/b15-14+
InChIKeyUAUQAOCTNYKCEH-CCEZHUSRSA-N
XLogP5.00
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.84
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol
CID 60794949
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene
CID 58550641
1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene
CID 10012750
anisole;1,4-dichlorobenzene
CID 175517246
1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene
CID 123460289
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol
CID 122215370
(4-ethenylphenyl)-bis(4-methoxyphenyl)methanol
CID 101342310
(Z)-1,1,3-triphenylprop-2-en-1-ol
CID 92856099
3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol
CID 78103173
(2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol
CID 164675939

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol?
The IUPAC name of 2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol (CID 71593142) is 2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol.
What is the SMILES notation for 2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol?
The canonical SMILES for 2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol is COc1ccc(C(O)(/C=C/c2ccc(Cl)cc2)c2ccccc2O)cc1.
What is the InChIKey of 2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol?
The InChIKey is UAUQAOCTNYKCEH-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H19ClO3/c1-26-19-12-8-17(9-13-19)22(25,20-4-2-3-5-21(20)24)15-14-16-6-10-18(23)11-7-16/h2-15,24-25H,1H3/b15-14+.
What are the key properties of 2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol?
2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol has a molecular weight of 366.84 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol is sourced from PubChem (CID 71593142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).