2-[2-(2-hydroxypropyl)phenyl]acetic acid

C11H14O3 — CID 117111520

IUPAC2-[2-(2-hydroxypropyl)phenyl]acetic acid
SMILESCC(O)Cc1ccccc1CC(=O)O
InChIInChI=1S/C11H14O3/c1-8(12)6-9-4-2-3-5-10(9)7-11(13)14/h2-5,8,12H,6-7H2,1H3,(H,13,14)
InChIKeyLDNWXWQLVJQZLP-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.24
Rot. Bonds4

About 2-[2-(2-hydroxypropyl)phenyl]acetic acid

2-[2-(2-hydroxypropyl)phenyl]acetic acid (PubChem CID 117111520) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxypropyl)phenyl]acetic acid
PubChem CID117111520
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-[2-(2-hydroxypropyl)phenyl]acetic acid
SMILESCC(O)Cc1ccccc1CC(=O)O
InChIInChI=1S/C11H14O3/c1-8(12)6-9-4-2-3-5-10(9)7-11(13)14/h2-5,8,12H,6-7H2,1H3,(H,13,14)
InChIKeyLDNWXWQLVJQZLP-UHFFFAOYSA-N
XLogP1.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-hydroxypropyl)phenyl]methyl]prop-2-enoic acid
CID 54496250
CID 172781001
CID 172781001
CID 172781038
CID 172781038
3-[2-(2-hydroxypropyl)phenyl]-3-methylbutanoic acid
CID 115112921
2-[2-(dihydroxymethyl)phenyl]acetic acid
CID 178118262
2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid
CID 162921751
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
oxalic acid;1-phenylpropan-2-ol
CID 162336088
2-(2-ethylphenyl)acetic acid;hydrate;hydrochloride
CID 67720112
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
1-[2-(2-hydroxypropyl)phenyl]-1-methylurea
CID 117297750
2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
CID 81318509

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-hydroxypropyl)phenyl]acetic acid (CID 117111520) is 2-[2-(2-hydroxypropyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-hydroxypropyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-hydroxypropyl)phenyl]acetic acid is CC(O)Cc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(2-hydroxypropyl)phenyl]acetic acid?
The InChIKey is LDNWXWQLVJQZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(12)6-9-4-2-3-5-10(9)7-11(13)14/h2-5,8,12H,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[2-(2-hydroxypropyl)phenyl]acetic acid?
2-[2-(2-hydroxypropyl)phenyl]acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropyl)phenyl]acetic acid is sourced from PubChem (CID 117111520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).