2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid

C16H22O3 — CID 66602392

IUPAC2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid
SMILESCC1CC(c2cccc(C(=O)O)c2O)CC(C)(C)C1
InChIInChI=1S/C16H22O3/c1-10-7-11(9-16(2,3)8-10)12-5-4-6-13(14(12)17)15(18)19/h4-6,10-11,17H,7-9H2,1-3H3,(H,18,19)
InChIKeyGGXOTIZMRSEMHF-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.02
Rot. Bonds2

About 2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid

2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid (PubChem CID 66602392) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid
PubChem CID66602392
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid
SMILESCC1CC(c2cccc(C(=O)O)c2O)CC(C)(C)C1
InChIInChI=1S/C16H22O3/c1-10-7-11(9-16(2,3)8-10)12-5-4-6-13(14(12)17)15(18)19/h4-6,10-11,17H,7-9H2,1-3H3,(H,18,19)
InChIKeyGGXOTIZMRSEMHF-UHFFFAOYSA-N
XLogP4.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,5S)-3,3,5-trimethylcyclohexyl]-3-[(1R,5R)-3,3,5-trimethylcyclohexyl]phthalic acid
CID 90952057
2-(2-phenylphenyl)-3-(3,3,5-trimethylcyclohexyl)phenol
CID 174475982
2-hydroxybenzoic acid;3,3,5-trimethylcyclohexane-1-carbaldehyde
CID 87453061
3-[(1S,2R)-2-boronocyclopropyl]-2-hydroxybenzoic acid
CID 175784844
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine
CID 21292179
2-bromo-6-(3,3,5-trimethylcyclohexyl)oxybenzoic acid
CID 114888603
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
3-bromo-2-hydroxybenzoic acid
CID 520927
2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid
CID 71325821
benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine
CID 23161986
(3,3,5-trimethylcyclohexyl) 2-fluoro-3-methylbenzoate
CID 81479032

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid?
The IUPAC name of 2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid (CID 66602392) is 2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid?
The canonical SMILES for 2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid is CC1CC(c2cccc(C(=O)O)c2O)CC(C)(C)C1.
What is the InChIKey of 2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid?
The InChIKey is GGXOTIZMRSEMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-10-7-11(9-16(2,3)8-10)12-5-4-6-13(14(12)17)15(18)19/h4-6,10-11,17H,7-9H2,1-3H3,(H,18,19).
What are the key properties of 2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid?
2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid has a molecular weight of 262.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid is sourced from PubChem (CID 66602392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).