2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid

C10H12O4 — CID 56991164

IUPAC2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid
SMILESCC(C)(O)c1cccc(C(=O)O)c1O
InChIInChI=1S/C10H12O4/c1-10(2,14)7-5-3-4-6(8(7)11)9(12)13/h3-5,11,14H,1-2H3,(H,12,13)
InChIKeyLLFOATWJGHUHOL-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.32
Rot. Bonds2

About 2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid

2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid (PubChem CID 56991164) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid
PubChem CID56991164
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid
SMILESCC(C)(O)c1cccc(C(=O)O)c1O
InChIInChI=1S/C10H12O4/c1-10(2,14)7-5-3-4-6(8(7)11)9(12)13/h3-5,11,14H,1-2H3,(H,12,13)
InChIKeyLLFOATWJGHUHOL-UHFFFAOYSA-N
XLogP1.32
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-diphenylethyl)-2-hydroxybenzoic acid
CID 139751324
2-hydroxy-3-tritylbenzoic acid
CID 19779155
2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid
CID 57076589
2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid
CID 139750828
3-tert-butyl-2-hydroxybenzoic acid;diphenyl carbonate
CID 87346943
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
2-(2-sulfanylpropan-2-yl)benzoic acid
CID 91874166
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
2,3-ditert-butylbenzoic acid
CID 19875149
carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599
2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol
CID 174517600
[2-(2-hydroxypropan-2-yl)phenyl]-phenylmethanone
CID 15254692

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid (CID 56991164) is 2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid is CC(C)(O)c1cccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid?
The InChIKey is LLFOATWJGHUHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-10(2,14)7-5-3-4-6(8(7)11)9(12)13/h3-5,11,14H,1-2H3,(H,12,13).
What are the key properties of 2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid?
2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid is sourced from PubChem (CID 56991164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).