(E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol

C17H17ClO3 — CID 58223742

IUPAC(E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(/C(Cl)=C(\CO)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17ClO3/c1-20-14-7-3-12(4-8-14)16(11-19)17(18)13-5-9-15(21-2)10-6-13/h3-10,19H,11H2,1-2H3/b17-16-
InChIKeyXRQHEUFJJJFRQG-MSUUIHNZSA-N
MW304.77 g/mol
LogP3.80
Rot. Bonds5

About (E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol

(E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol (PubChem CID 58223742) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol
PubChem CID58223742
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(/C(Cl)=C(\CO)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17ClO3/c1-20-14-7-3-12(4-8-14)16(11-19)17(18)13-5-9-15(21-2)10-6-13/h3-10,19H,11H2,1-2H3/b17-16-
InChIKeyXRQHEUFJJJFRQG-MSUUIHNZSA-N
XLogP3.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine
CID 170887821
5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol
CID 15530718
1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 15417407
3-chloro-2-(4-methoxyphenyl)-3-phenylprop-2-enenitrile
CID 54029927
3-chloro-3-(4-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 54258462
1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
CID 44604980
1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene
CID 13119213
N-ethyl-4-methoxybenzenecarboximidoyl chloride
CID 18948655
CID 12714057
CID 12714057
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol (CID 58223742) is (E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol is COc1ccc(/C(Cl)=C(\CO)c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol?
The InChIKey is XRQHEUFJJJFRQG-MSUUIHNZSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-20-14-7-3-12(4-8-14)16(11-19)17(18)13-5-9-15(21-2)10-6-13/h3-10,19H,11H2,1-2H3/b17-16-.
What are the key properties of (E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol?
(E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol has a molecular weight of 304.77 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 58223742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).