4-ethyl-2-methoxybenzoic acid

C10H12O3 — CID 18687349

IUPAC4-ethyl-2-methoxybenzoic acid
SMILESCCc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C10H12O3/c1-3-7-4-5-8(10(11)12)9(6-7)13-2/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyYFSSJMUFERUXAC-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.96
Rot. Bonds3

About 4-ethyl-2-methoxybenzoic acid

4-ethyl-2-methoxybenzoic acid (PubChem CID 18687349) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 4-ethyl-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-ethyl-2-methoxybenzoic acid
PubChem CID18687349
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name4-ethyl-2-methoxybenzoic acid
SMILESCCc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C10H12O3/c1-3-7-4-5-8(10(11)12)9(6-7)13-2/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyYFSSJMUFERUXAC-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-methoxybenzoic acid
CID 20721149
2-butoxy-4-ethylbenzoic acid
CID 174580616
4-(acetamidomethyl)-2-methoxybenzoic acid
CID 131252000
4-[2-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenyl]ethyl]-2-methoxybenzoic acid
CID 171715332
2-methoxy-4-[(propan-2-ylamino)methyl]benzoic acid
CID 117220706
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 107668753
4-(cyclopentylmethyl)-2-methoxybenzoic acid
CID 23021577
2-methoxy-4-[[methyl(pentyl)amino]methyl]benzoic acid
CID 106793474
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
4-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664132
2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid
CID 107667476

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methoxybenzoic acid?
The IUPAC name of 4-ethyl-2-methoxybenzoic acid (CID 18687349) is 4-ethyl-2-methoxybenzoic acid.
What is the SMILES notation for 4-ethyl-2-methoxybenzoic acid?
The canonical SMILES for 4-ethyl-2-methoxybenzoic acid is CCc1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 4-ethyl-2-methoxybenzoic acid?
The InChIKey is YFSSJMUFERUXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-7-4-5-8(10(11)12)9(6-7)13-2/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of 4-ethyl-2-methoxybenzoic acid?
4-ethyl-2-methoxybenzoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methoxybenzoic acid is sourced from PubChem (CID 18687349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).