(Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid

C16H13ClO2 — CID 83954367

IUPAC(Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid
SMILESCc1ccccc1/C=C(\C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClO2/c1-11-4-2-3-5-13(11)10-15(16(18)19)12-6-8-14(17)9-7-12/h2-10H,1H3,(H,18,19)/b15-10-
InChIKeyBXBHSXFOUQQKLT-GDNBJRDFSA-N
MW272.73 g/mol
LogP4.27
Rot. Bonds3

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

(Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid (PubChem CID 83954367) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid
PubChem CID83954367
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name(Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid
SMILESCc1ccccc1/C=C(\C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClO2/c1-11-4-2-3-5-13(11)10-15(16(18)19)12-6-8-14(17)9-7-12/h2-10H,1H3,(H,18,19)/b15-10-
InChIKeyBXBHSXFOUQQKLT-GDNBJRDFSA-N
XLogP4.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.27
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid (CID 83954367) is (Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid is Cc1ccccc1/C=C(\C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid?
The InChIKey is BXBHSXFOUQQKLT-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-11-4-2-3-5-13(11)10-15(16(18)19)12-6-8-14(17)9-7-12/h2-10H,1H3,(H,18,19)/b15-10-.
What are the key properties of (Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid?
(Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid has a molecular weight of 272.73 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83954367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).