4-(2-hydroxyethyl)benzoic acid

C9H10O3 — CID 506062

IUPAC4-(2-hydroxyethyl)benzoic acid
SMILESO=C(O)c1ccc(CCO)cc1
InChIInChI=1S/C9H10O3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKeyFUWHCTSQIAULAK-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.92
Rot. Bonds3

About 4-(2-hydroxyethyl)benzoic acid

4-(2-hydroxyethyl)benzoic acid (PubChem CID 506062) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)benzoic acid.

Molecular Properties

Compound Name4-(2-hydroxyethyl)benzoic acid
PubChem CID506062
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name4-(2-hydroxyethyl)benzoic acid
SMILESO=C(O)c1ccc(CCO)cc1
InChIInChI=1S/C9H10O3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKeyFUWHCTSQIAULAK-UHFFFAOYSA-N
XLogP0.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[9-(4-carboxyphenyl)nonyl]benzoic acid
CID 90051531
4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715405
4-(2-Aminoethyl)-benzoic acid sodium
CID 70590830
ethane;4-propylbenzoic acid
CID 91047964
4-(2-aminoethyl)benzoic acid;hydron;chloride
CID 56844303
terephthalic acid
CID 160582437
ethane-1,2-diol;octane-1,8-diol;terephthalic acid
CID 67530978
cyclopropane;4-(hydroxymethyl)benzoic acid
CID 67743038
4-[2-[3-(hydroxymethyl)phenyl]ethyl]benzoic acid
CID 174540929
CID 69445910
CID 69445910
4-(2-cyanoethyl)benzoic acid
CID 19879196
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)benzoic acid?
The IUPAC name of 4-(2-hydroxyethyl)benzoic acid (CID 506062) is 4-(2-hydroxyethyl)benzoic acid.
What is the SMILES notation for 4-(2-hydroxyethyl)benzoic acid?
The canonical SMILES for 4-(2-hydroxyethyl)benzoic acid is O=C(O)c1ccc(CCO)cc1.
What is the InChIKey of 4-(2-hydroxyethyl)benzoic acid?
The InChIKey is FUWHCTSQIAULAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2,(H,11,12).
What are the key properties of 4-(2-hydroxyethyl)benzoic acid?
4-(2-hydroxyethyl)benzoic acid has a molecular weight of 166.18 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)benzoic acid is sourced from PubChem (CID 506062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).