2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid

C19H22O3 — CID 14883392

IUPAC2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid
SMILESCCCC(C)(c1ccccc1)c1ccc(C)c(C(=O)O)c1O
InChIInChI=1S/C19H22O3/c1-4-12-19(3,14-8-6-5-7-9-14)15-11-10-13(2)16(17(15)20)18(21)22/h5-11,20H,4,12H2,1-3H3,(H,21,22)
InChIKeyALDWZFMKQAIPKO-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.50
Rot. Bonds5

About 2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid

2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid (PubChem CID 14883392) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid
PubChem CID14883392
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid
SMILESCCCC(C)(c1ccccc1)c1ccc(C)c(C(=O)O)c1O
InChIInChI=1S/C19H22O3/c1-4-12-19(3,14-8-6-5-7-9-14)15-11-10-13(2)16(17(15)20)18(21)22/h5-11,20H,4,12H2,1-3H3,(H,21,22)
InChIKeyALDWZFMKQAIPKO-UHFFFAOYSA-N
XLogP4.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid
CID 139676721
2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid
CID 139676728
2-hydroxy-6-methyl-3-(3-phenyldecan-3-yl)benzoic acid
CID 139676735
2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid
CID 21413982
2-hydroxy-6-methyl-3,5-bis(2-phenylpropan-2-yl)benzoic acid;trihydrate
CID 173352352
2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid
CID 139750828
4-(2-phenylpentan-2-yl)benzene-1,3-diamine
CID 19849987
2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid
CID 163862555
7-methyl-3-(2-phenylpentan-2-yl)-1H-indole
CID 58731174
3-tert-butyl-2-hydroxy-6-methyl-5-(2-methylpentan-2-yl)benzoic acid
CID 19822805
(3S)-3-methyl-3-phenylhexan-2-one
CID 54421490
2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid
CID 66728197

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid (CID 14883392) is 2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid is CCCC(C)(c1ccccc1)c1ccc(C)c(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid?
The InChIKey is ALDWZFMKQAIPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-4-12-19(3,14-8-6-5-7-9-14)15-11-10-13(2)16(17(15)20)18(21)22/h5-11,20H,4,12H2,1-3H3,(H,21,22).
What are the key properties of 2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid?
2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid has a molecular weight of 298.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid is sourced from PubChem (CID 14883392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).