4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid

C17H14O5 — CID 83955775

IUPAC4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid
SMILESCOc1ccccc1/C(=C/c1ccc(C(=O)O)cc1)C(=O)O
InChIInChI=1S/C17H14O5/c1-22-15-5-3-2-4-13(15)14(17(20)21)10-11-6-8-12(9-7-11)16(18)19/h2-10H,1H3,(H,18,19)(H,20,21)/b14-10-
InChIKeyJCSHLZSAQIFOLU-UVTDQMKNSA-N
MW298.29 g/mol
LogP3.02
Rot. Bonds5

About 4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid

4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid (PubChem CID 83955775) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid
PubChem CID83955775
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid
SMILESCOc1ccccc1/C(=C/c1ccc(C(=O)O)cc1)C(=O)O
InChIInChI=1S/C17H14O5/c1-22-15-5-3-2-4-13(15)14(17(20)21)10-11-6-8-12(9-7-11)16(18)19/h2-10H,1H3,(H,18,19)(H,20,21)/b14-10-
InChIKeyJCSHLZSAQIFOLU-UVTDQMKNSA-N
XLogP3.02
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83951109
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83955231
(Z)-2-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955074
(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 112720535
(Z)-3-(4-fluorophenyl)-2-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
CID 83955702
(Z)-3-(4-methoxycarbonylphenyl)-2-naphthalen-1-ylprop-2-enoic acid
CID 83954143
(Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83954743
2-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enoic acid
CID 54099002
4-[[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 2195688
4-[(E)-[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6895010
(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83953650
(Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid
CID 83954614

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid?
The IUPAC name of 4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid (CID 83955775) is 4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid?
The canonical SMILES for 4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid is COc1ccccc1/C(=C/c1ccc(C(=O)O)cc1)C(=O)O.
What is the InChIKey of 4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid?
The InChIKey is JCSHLZSAQIFOLU-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H14O5/c1-22-15-5-3-2-4-13(15)14(17(20)21)10-11-6-8-12(9-7-11)16(18)19/h2-10H,1H3,(H,18,19)(H,20,21)/b14-10-.
What are the key properties of 4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid?
4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid has a molecular weight of 298.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid is sourced from PubChem (CID 83955775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).