1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid

C18H26O3 — CID 117469275

IUPAC1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(C)(C)C)c(O)c1C1(C(=O)O)CCCCC1
InChIInChI=1S/C18H26O3/c1-12-8-9-13(17(2,3)4)15(19)14(12)18(16(20)21)10-6-5-7-11-18/h8-9,19H,5-7,10-11H2,1-4H3,(H,20,21)
InChIKeyYFPDZRKFWNRFHU-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.28
Rot. Bonds2

About 1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid

1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117469275) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117469275
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(C)(C)C)c(O)c1C1(C(=O)O)CCCCC1
InChIInChI=1S/C18H26O3/c1-12-8-9-13(17(2,3)4)15(19)14(12)18(16(20)21)10-6-5-7-11-18/h8-9,19H,5-7,10-11H2,1-4H3,(H,20,21)
InChIKeyYFPDZRKFWNRFHU-UHFFFAOYSA-N
XLogP4.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344776
2-(1-aminocyclopropyl)-6-tert-butyl-3-methylphenol
CID 117313082
1-[2,3-dihydroxy-6-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117489484
1-(2-chloro-3,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 84799391
1-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540
1-(2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446124
1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117425482
1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117478644
1-(4-tert-butyl-5-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117410599
1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117489786
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117489788
1-(2-chloro-3,6-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84789863

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid (CID 117469275) is 1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid is Cc1ccc(C(C)(C)C)c(O)c1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is YFPDZRKFWNRFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-12-8-9-13(17(2,3)4)15(19)14(12)18(16(20)21)10-6-5-7-11-18/h8-9,19H,5-7,10-11H2,1-4H3,(H,20,21).
What are the key properties of 1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid?
1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 290.40 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-2-hydroxy-6-methylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117469275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).