3-(2-methoxyethenyl)benzoic acid

C10H10O3 — CID 70467435

IUPAC3-(2-methoxyethenyl)benzoic acid
SMILESCOC=Cc1cccc(C(=O)O)c1
InChIInChI=1S/C10H10O3/c1-13-6-5-8-3-2-4-9(7-8)10(11)12/h2-7H,1H3,(H,11,12)
InChIKeyZVGWJBYYVBKCRM-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.00
Rot. Bonds3

About 3-(2-methoxyethenyl)benzoic acid

3-(2-methoxyethenyl)benzoic acid (PubChem CID 70467435) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-(2-methoxyethenyl)benzoic acid.

Molecular Properties

Compound Name3-(2-methoxyethenyl)benzoic acid
PubChem CID70467435
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name3-(2-methoxyethenyl)benzoic acid
SMILESCOC=Cc1cccc(C(=O)O)c1
InChIInChI=1S/C10H10O3/c1-13-6-5-8-3-2-4-9(7-8)10(11)12/h2-7H,1H3,(H,11,12)
InChIKeyZVGWJBYYVBKCRM-UHFFFAOYSA-N
XLogP2.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-methoxyethenyl)benzoate
CID 67019210
3-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid
CID 67720414
3-(2-methylprop-1-enyl)benzoic acid
CID 144799452
3-(2-bromoethenyl)benzoic acid
CID 151248021
3-(2-methoxyethenyl)phenol
CID 175460679
3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 91944332
3-formylbenzoic acid;methanol
CID 142242456
3-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid
CID 10489084
3-[(E)-3-oxo-3-(2,4,6-trimethoxyphenyl)prop-1-enyl]benzoic acid
CID 10405090
3-[2-[3-(dihydroxymethyl)phenyl]ethenyl]benzoic acid
CID 73456144
1-bromo-3-[(E)-2-methoxyethenyl]benzene
CID 67543608
3-[(E)-2-methoxyethenyl]aniline
CID 71681260

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethenyl)benzoic acid?
The IUPAC name of 3-(2-methoxyethenyl)benzoic acid (CID 70467435) is 3-(2-methoxyethenyl)benzoic acid.
What is the SMILES notation for 3-(2-methoxyethenyl)benzoic acid?
The canonical SMILES for 3-(2-methoxyethenyl)benzoic acid is COC=Cc1cccc(C(=O)O)c1.
What is the InChIKey of 3-(2-methoxyethenyl)benzoic acid?
The InChIKey is ZVGWJBYYVBKCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-13-6-5-8-3-2-4-9(7-8)10(11)12/h2-7H,1H3,(H,11,12).
What are the key properties of 3-(2-methoxyethenyl)benzoic acid?
3-(2-methoxyethenyl)benzoic acid has a molecular weight of 178.19 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethenyl)benzoic acid is sourced from PubChem (CID 70467435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).