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

C17H16O3 — CID 83564407

IUPAC(Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
SMILESCOc1ccccc1/C(=C\C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C17H16O3/c1-12-7-9-13(10-8-12)15(11-17(18)19)14-5-3-4-6-16(14)20-2/h3-11H,1-2H3,(H,18,19)/b15-11-
InChIKeyPTJKHHLUOJTTAC-PTNGSMBKSA-N
MW268.31 g/mol
LogP3.52
Rot. Bonds4

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

(Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid (PubChem CID 83564407) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
PubChem CID83564407
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
SMILESCOc1ccccc1/C(=C\C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C17H16O3/c1-12-7-9-13(10-8-12)15(11-17(18)19)14-5-3-4-6-16(14)20-2/h3-11H,1-2H3,(H,18,19)/b15-11-
InChIKeyPTJKHHLUOJTTAC-PTNGSMBKSA-N
XLogP3.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102309809
2-methoxy-N-[(4-methylphenyl)-phenylmethylidene]benzamide
CID 4674835
(Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid
CID 19421560
(2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87620296
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 2926237
(E)-3-[4-(2-methoxyphenyl)phenyl]but-2-enoic acid
CID 82092538
3,3-bis(2-methoxyphenyl)prop-2-enal
CID 14347228
(E)-3-(4-chlorophenyl)-3-[2-(methoxymethoxy)-5-methylphenyl]prop-2-enoic acid
CID 146175405
(E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide
CID 102455736
methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate
CID 14347267
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
(Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid
CID 5371395

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid (CID 83564407) is (Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid is COc1ccccc1/C(=C\C(=O)O)c1ccc(C)cc1.
What is the InChIKey of (Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid?
The InChIKey is PTJKHHLUOJTTAC-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H16O3/c1-12-7-9-13(10-8-12)15(11-17(18)19)14-5-3-4-6-16(14)20-2/h3-11H,1-2H3,(H,18,19)/b15-11-.
What are the key properties of (Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid?
(Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid has a molecular weight of 268.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83564407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).