(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid

C15H10Cl2O2 — CID 6276844

IUPAC(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2O2/c16-12-5-1-10(2-6-12)9-14(15(18)19)11-3-7-13(17)8-4-11/h1-9H,(H,18,19)/b14-9-
InChIKeyMBMFVYCYORPQIV-ZROIWOOFSA-N
MW293.15 g/mol
LogP4.62
Rot. Bonds3

About (Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid

(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid (PubChem CID 6276844) has the molecular formula C15H10Cl2O2 and a molecular weight of 293.15 g/mol. Its IUPAC name is (Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid
PubChem CID6276844
Molecular FormulaC15H10Cl2O2
Molecular Weight293.15 g/mol
Exact Mass292.01
IUPAC Name(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2O2/c16-12-5-1-10(2-6-12)9-14(15(18)19)11-3-7-13(17)8-4-11/h1-9H,(H,18,19)/b14-9-
InChIKeyMBMFVYCYORPQIV-ZROIWOOFSA-N
XLogP4.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-carboxy-2-(4-chlorophenyl)ethenyl]benzoic acid
CID 83955767
2-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoic acid
CID 54006809
3-(4-chlorophenyl)-2-(4-nitrophenyl)prop-2-enoic acid
CID 5185595
(E)-3-(4-chlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5466800
(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 7063195
3-(4-chlorophenyl)-2-(3,4-diethoxyphenyl)prop-2-enoic acid
CID 1421836
2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5053670
(Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid
CID 83953215
(Z)-3-(4-chlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid
CID 83954536
(Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid
CID 83954367
(E)-3-(4-chlorophenyl)-2-[4-(2-quinolin-2-ylethyl)phenyl]prop-2-enoic acid
CID 67124589
2-bromo-3-(4-chlorophenyl)prop-2-enoic acid
CID 4737526

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid (CID 6276844) is (Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid is O=C(O)/C(=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid?
The InChIKey is MBMFVYCYORPQIV-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H10Cl2O2/c16-12-5-1-10(2-6-12)9-14(15(18)19)11-3-7-13(17)8-4-11/h1-9H,(H,18,19)/b14-9-.
What are the key properties of (Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid?
(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid has a molecular weight of 293.15 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid is sourced from PubChem (CID 6276844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).