2-ethyl-3-(hydroxymethyl)benzoic acid

C10H12O3 — CID 141102852

IUPAC2-ethyl-3-(hydroxymethyl)benzoic acid
SMILESCCc1c(CO)cccc1C(=O)O
InChIInChI=1S/C10H12O3/c1-2-8-7(6-11)4-3-5-9(8)10(12)13/h3-5,11H,2,6H2,1H3,(H,12,13)
InChIKeyVRAIBXOWGGTBET-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.44
Rot. Bonds3

About 2-ethyl-3-(hydroxymethyl)benzoic acid

2-ethyl-3-(hydroxymethyl)benzoic acid (PubChem CID 141102852) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-ethyl-3-(hydroxymethyl)benzoic acid.

Molecular Properties

Compound Name2-ethyl-3-(hydroxymethyl)benzoic acid
PubChem CID141102852
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-ethyl-3-(hydroxymethyl)benzoic acid
SMILESCCc1c(CO)cccc1C(=O)O
InChIInChI=1S/C10H12O3/c1-2-8-7(6-11)4-3-5-9(8)10(12)13/h3-5,11H,2,6H2,1H3,(H,12,13)
InChIKeyVRAIBXOWGGTBET-UHFFFAOYSA-N
XLogP1.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-(3-hydroxypropyl)benzoic acid
CID 54146728
2-(bromomethyl)-3-ethylbenzoic acid
CID 66619635
2-ethyl-3-iodobenzoic acid
CID 22121847
3-borono-2-ethylbenzoic acid
CID 69482595
3-amino-2-ethylbenzoic acid
CID 18185344
2-ethyl-3-fluorobenzoic acid
CID 52911005
3-ethyl-2-(methoxymethyl)benzoic acid
CID 177243799
2-ethylbenzoic acid;tungsten
CID 23518478
2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid
CID 175134431
2-fluoro-3-(hydroxymethyl)benzoic acid
CID 2774489
2-ethyl-3-propan-2-ylbenzoic acid
CID 89352889
3-ethenyl-2-ethylbenzoic acid
CID 70289721

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(hydroxymethyl)benzoic acid?
The IUPAC name of 2-ethyl-3-(hydroxymethyl)benzoic acid (CID 141102852) is 2-ethyl-3-(hydroxymethyl)benzoic acid.
What is the SMILES notation for 2-ethyl-3-(hydroxymethyl)benzoic acid?
The canonical SMILES for 2-ethyl-3-(hydroxymethyl)benzoic acid is CCc1c(CO)cccc1C(=O)O.
What is the InChIKey of 2-ethyl-3-(hydroxymethyl)benzoic acid?
The InChIKey is VRAIBXOWGGTBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-8-7(6-11)4-3-5-9(8)10(12)13/h3-5,11H,2,6H2,1H3,(H,12,13).
What are the key properties of 2-ethyl-3-(hydroxymethyl)benzoic acid?
2-ethyl-3-(hydroxymethyl)benzoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(hydroxymethyl)benzoic acid is sourced from PubChem (CID 141102852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).