2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid

C13H18O3 — CID 163862555

IUPAC2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid
SMILESCCCC(C)(C)c1cccc(O)c1C(=O)O
InChIInChI=1S/C13H18O3/c1-4-8-13(2,3)9-6-5-7-10(14)11(9)12(15)16/h5-7,14H,4,8H2,1-3H3,(H,15,16)
InChIKeyPDVGWCZUIWSMCE-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.17
Rot. Bonds4

About 2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid

2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid (PubChem CID 163862555) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid
PubChem CID163862555
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid
SMILESCCCC(C)(C)c1cccc(O)c1C(=O)O
InChIInChI=1S/C13H18O3/c1-4-8-13(2,3)9-6-5-7-10(14)11(9)12(15)16/h5-7,14H,4,8H2,1-3H3,(H,15,16)
InChIKeyPDVGWCZUIWSMCE-UHFFFAOYSA-N
XLogP3.17
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis(2-methylpentan-2-yl)phenol
CID 19809768
2-ethyl-6-(2-methylpentan-2-yl)phenol
CID 154203714
3-tert-butyl-2-hydroxy-6-methyl-5-(2-methylpentan-2-yl)benzoic acid
CID 19822805
carbonic acid;2-(2-methylhexan-2-yl)phenol
CID 88685515
2,6-dihydroxybenzoic acid;hydrate
CID 169225453
2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol
CID 88886549
3-tert-butyl-2-carboxyphenolate
CID 54716567
3-tert-butyl-6-hydroxy-2-methylbenzoic acid
CID 154313774
2-(2-hydroxyphenyl)-2-methylbutanoic acid
CID 83830636
2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid
CID 14883392
2-carboxy-3-hydroxyphenolate
CID 54676638
2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol
CID 22146399

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid (CID 163862555) is 2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid is CCCC(C)(C)c1cccc(O)c1C(=O)O.
What is the InChIKey of 2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid?
The InChIKey is PDVGWCZUIWSMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-8-13(2,3)9-6-5-7-10(14)11(9)12(15)16/h5-7,14H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid?
2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid has a molecular weight of 222.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid is sourced from PubChem (CID 163862555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).