(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate

C15H10ClO2- — CID 7063195

IUPAC(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
SMILESO=C([O-])/C(=C\c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClO2/c16-13-8-6-12(7-9-13)14(15(17)18)10-11-4-2-1-3-5-11/h1-10H,(H,17,18)/p-1/b14-10-
InChIKeyVPXGAYMGNMHRTI-UVTDQMKNSA-M
MW257.70 g/mol
LogP2.63
Rot. Bonds3

About (Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate

(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate (PubChem CID 7063195) has the molecular formula C15H10ClO2- and a molecular weight of 257.70 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
PubChem CID7063195
Molecular FormulaC15H10ClO2-
Molecular Weight257.70 g/mol
Exact Mass257.04
IUPAC Name(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
SMILESO=C([O-])/C(=C\c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClO2/c16-13-8-6-12(7-9-13)14(15(17)18)10-11-4-2-1-3-5-11/h1-10H,(H,17,18)/p-1/b14-10-
InChIKeyVPXGAYMGNMHRTI-UVTDQMKNSA-M
XLogP2.63
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid
CID 6276844
(E)-3-(4-chlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5466800
4-[(Z)-2-carboxy-2-(4-chlorophenyl)ethenyl]benzoic acid
CID 83955767
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
(E)-2-(4-chlorophenyl)-3-phenylprop-2-enal
CID 86741984
(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
CID 6523064
2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 97301971
[2-(methylamino)-2-oxoethyl] (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 7675877
3-(4-chlorophenyl)-2-(4-nitrophenyl)prop-2-enoic acid
CID 5185595
(E)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-phenylprop-2-en-1-one
CID 99643485
[2-(2-acetylhydrazinyl)-2-oxoethyl] (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 7675858

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate?
The IUPAC name of (Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate (CID 7063195) is (Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate is O=C([O-])/C(=C\c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate?
The InChIKey is VPXGAYMGNMHRTI-UVTDQMKNSA-M. The full InChI is InChI=1S/C15H11ClO2/c16-13-8-6-12(7-9-13)14(15(17)18)10-11-4-2-1-3-5-11/h1-10H,(H,17,18)/p-1/b14-10-.
What are the key properties of (Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate?
(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate has a molecular weight of 257.70 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate is sourced from PubChem (CID 7063195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).