(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid

C15H10Cl2O2 — CID 43132115

IUPAC(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C15H10Cl2O2/c16-12-7-6-11(14(17)9-12)8-13(15(18)19)10-4-2-1-3-5-10/h1-9H,(H,18,19)/b13-8-
InChIKeyHRFDEIGDZWHNOS-JYRVWZFOSA-N
MW293.15 g/mol
LogP4.62
Rot. Bonds3

About (Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid

(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid (PubChem CID 43132115) has the molecular formula C15H10Cl2O2 and a molecular weight of 293.15 g/mol. Its IUPAC name is (Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
PubChem CID43132115
Molecular FormulaC15H10Cl2O2
Molecular Weight293.15 g/mol
Exact Mass292.01
IUPAC Name(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C15H10Cl2O2/c16-12-7-6-11(14(17)9-12)8-13(15(18)19)10-4-2-1-3-5-10/h1-9H,(H,18,19)/b13-8-
InChIKeyHRFDEIGDZWHNOS-JYRVWZFOSA-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

(Z)-3-(2,4-dichlorophenyl)-2-(3-fluoro-4-methylphenyl)prop-2-enoic acid
CID 83954746
(Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83954743
(E)-2-benzamido-3-(2,4-dichlorophenyl)prop-2-enoic acid
CID 6209843
2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5053670
methyl (Z)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 67271124
methyl (E)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 58952572
(Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid
CID 83954367
(Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid
CID 83955311
(Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
CID 83954749
3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide
CID 4191533
3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
CID 76914513
(Z)-3-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 22682126

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid (CID 43132115) is (Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid is O=C(O)/C(=C\c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of (Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid?
The InChIKey is HRFDEIGDZWHNOS-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H10Cl2O2/c16-12-7-6-11(14(17)9-12)8-13(15(18)19)10-4-2-1-3-5-10/h1-9H,(H,18,19)/b13-8-.
What are the key properties of (Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid?
(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-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)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid is sourced from PubChem (CID 43132115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).