2-(2-hydroxy-2-phenylpropoxy)benzoic acid

C16H16O4 — CID 62374978

IUPAC2-(2-hydroxy-2-phenylpropoxy)benzoic acid
SMILESCC(O)(COc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C16H16O4/c1-16(19,12-7-3-2-4-8-12)11-20-14-10-6-5-9-13(14)15(17)18/h2-10,19H,11H2,1H3,(H,17,18)
InChIKeyAENCSXGZBFWQIU-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.67
Rot. Bonds5

About 2-(2-hydroxy-2-phenylpropoxy)benzoic acid

2-(2-hydroxy-2-phenylpropoxy)benzoic acid (PubChem CID 62374978) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(2-hydroxy-2-phenylpropoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-2-phenylpropoxy)benzoic acid
PubChem CID62374978
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-(2-hydroxy-2-phenylpropoxy)benzoic acid
SMILESCC(O)(COc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C16H16O4/c1-16(19,12-7-3-2-4-8-12)11-20-14-10-6-5-9-13(14)15(17)18/h2-10,19H,11H2,1H3,(H,17,18)
InChIKeyAENCSXGZBFWQIU-UHFFFAOYSA-N
XLogP2.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(2-hydroxy-2-phenylpropoxy)benzoic acid
CID 62375476
2-(2,2,2-trifluoroethoxy)benzoic acid
CID 11528644
1-(2,3-dichlorophenoxy)-2-phenylpropan-2-ol
CID 55068242
2-ethoxybenzoic acid;zinc
CID 172723273
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 78931763
5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde
CID 107697932
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
2-[2-(tert-butylamino)ethoxy]benzoic acid
CID 103235164
2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214922
2-phenacyloxybenzoic acid
CID 23764826
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-phenylpropoxy)benzoic acid?
The IUPAC name of 2-(2-hydroxy-2-phenylpropoxy)benzoic acid (CID 62374978) is 2-(2-hydroxy-2-phenylpropoxy)benzoic acid.
What is the SMILES notation for 2-(2-hydroxy-2-phenylpropoxy)benzoic acid?
The canonical SMILES for 2-(2-hydroxy-2-phenylpropoxy)benzoic acid is CC(O)(COc1ccccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-hydroxy-2-phenylpropoxy)benzoic acid?
The InChIKey is AENCSXGZBFWQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-16(19,12-7-3-2-4-8-12)11-20-14-10-6-5-9-13(14)15(17)18/h2-10,19H,11H2,1H3,(H,17,18).
What are the key properties of 2-(2-hydroxy-2-phenylpropoxy)benzoic acid?
2-(2-hydroxy-2-phenylpropoxy)benzoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-phenylpropoxy)benzoic acid is sourced from PubChem (CID 62374978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).