6-ethyl-2-hydroxy-3-methoxybenzoic acid

C10H12O4 — CID 84666719

IUPAC6-ethyl-2-hydroxy-3-methoxybenzoic acid
SMILESCCc1ccc(OC)c(O)c1C(=O)O
InChIInChI=1S/C10H12O4/c1-3-6-4-5-7(14-2)9(11)8(6)10(12)13/h4-5,11H,3H2,1-2H3,(H,12,13)
InChIKeyIMYDUWZRTCJRMW-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.66
Rot. Bonds3

About 6-ethyl-2-hydroxy-3-methoxybenzoic acid

6-ethyl-2-hydroxy-3-methoxybenzoic acid (PubChem CID 84666719) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 6-ethyl-2-hydroxy-3-methoxybenzoic acid.

Molecular Properties

Compound Name6-ethyl-2-hydroxy-3-methoxybenzoic acid
PubChem CID84666719
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name6-ethyl-2-hydroxy-3-methoxybenzoic acid
SMILESCCc1ccc(OC)c(O)c1C(=O)O
InChIInChI=1S/C10H12O4/c1-3-6-4-5-7(14-2)9(11)8(6)10(12)13/h4-5,11H,3H2,1-2H3,(H,12,13)
InChIKeyIMYDUWZRTCJRMW-UHFFFAOYSA-N
XLogP1.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117319733
6-amino-2-hydroxy-3-methoxybenzoic acid
CID 84768914
2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566
2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one
CID 84688281
2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid
CID 84714045
2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid
CID 84689653
2-hydroxy-3-methoxy-6-nitrobenzoic acid
CID 154429384
3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 84677805
2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid
CID 117305010
6-(bromomethyl)-2-chloro-3-methoxybenzoic acid
CID 171020706
ethyl 2-cyano-6-ethyl-3-methoxybenzoate
CID 134614907
2-carboxy-3,6-diethylphenolate
CID 54694709

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-hydroxy-3-methoxybenzoic acid?
The IUPAC name of 6-ethyl-2-hydroxy-3-methoxybenzoic acid (CID 84666719) is 6-ethyl-2-hydroxy-3-methoxybenzoic acid.
What is the SMILES notation for 6-ethyl-2-hydroxy-3-methoxybenzoic acid?
The canonical SMILES for 6-ethyl-2-hydroxy-3-methoxybenzoic acid is CCc1ccc(OC)c(O)c1C(=O)O.
What is the InChIKey of 6-ethyl-2-hydroxy-3-methoxybenzoic acid?
The InChIKey is IMYDUWZRTCJRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-6-4-5-7(14-2)9(11)8(6)10(12)13/h4-5,11H,3H2,1-2H3,(H,12,13).
What are the key properties of 6-ethyl-2-hydroxy-3-methoxybenzoic acid?
6-ethyl-2-hydroxy-3-methoxybenzoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-hydroxy-3-methoxybenzoic acid is sourced from PubChem (CID 84666719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).