2-[4-(1-hydroxyethyl)phenyl]acetic acid

C10H12O3 — CID 71406306

IUPAC2-[4-(1-hydroxyethyl)phenyl]acetic acid
SMILESCC(O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C10H12O3/c1-7(11)9-4-2-8(3-5-9)6-10(12)13/h2-5,7,11H,6H2,1H3,(H,12,13)
InChIKeyNPHZIWZSJCUWKQ-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.37
Rot. Bonds3

About 2-[4-(1-hydroxyethyl)phenyl]acetic acid

2-[4-(1-hydroxyethyl)phenyl]acetic acid (PubChem CID 71406306) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)phenyl]acetic acid
PubChem CID71406306
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-[4-(1-hydroxyethyl)phenyl]acetic acid
SMILESCC(O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C10H12O3/c1-7(11)9-4-2-8(3-5-9)6-10(12)13/h2-5,7,11H,6H2,1H3,(H,12,13)
InChIKeyNPHZIWZSJCUWKQ-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-methoxyethyl)phenyl]acetic acid
CID 84618183
2-[4-(difluoromethyl)phenyl]acetic acid
CID 55268127
2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid
CID 69354051
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2-phenylacetamide
CID 93090514
2-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetic acid
CID 171862336
(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
CID 130747007
2-[4-(1,2-diaminoethyl)phenyl]acetic acid
CID 55297408
1-[4-(chloromethyl)phenyl]ethanol
CID 12600511
1-[4-(bromomethyl)phenyl]ethanol
CID 90882765
2-(4-bromophenyl)-N-[4-(1-hydroxyethyl)phenyl]acetamide
CID 91676875
2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid
CID 115462467
2-[4-(3-acetylsulfanyl-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170822237

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(1-hydroxyethyl)phenyl]acetic acid (CID 71406306) is 2-[4-(1-hydroxyethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1-hydroxyethyl)phenyl]acetic acid is CC(O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)phenyl]acetic acid?
The InChIKey is NPHZIWZSJCUWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(11)9-4-2-8(3-5-9)6-10(12)13/h2-5,7,11H,6H2,1H3,(H,12,13).
What are the key properties of 2-[4-(1-hydroxyethyl)phenyl]acetic acid?
2-[4-(1-hydroxyethyl)phenyl]acetic acid has a molecular weight of 180.20 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)phenyl]acetic acid is sourced from PubChem (CID 71406306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).