4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid

C18H26O2 — CID 81020836

IUPAC4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc(C2CC(C(C)(C)C)CCC2C(=O)O)cc1
InChIInChI=1S/C18H26O2/c1-12-5-7-13(8-6-12)16-11-14(18(2,3)4)9-10-15(16)17(19)20/h5-8,14-16H,9-11H2,1-4H3,(H,19,20)
InChIKeyWEKNFPLPXDIXHH-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.63
Rot. Bonds2

About 4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid

4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 81020836) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
PubChem CID81020836
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc(C2CC(C(C)(C)C)CCC2C(=O)O)cc1
InChIInChI=1S/C18H26O2/c1-12-5-7-13(8-6-12)16-11-14(18(2,3)4)9-10-15(16)17(19)20/h5-8,14-16H,9-11H2,1-4H3,(H,19,20)
InChIKeyWEKNFPLPXDIXHH-UHFFFAOYSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81020670
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
4-tert-butyl-2-(3-chloro-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 107561103
trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 54256967
4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 115375614
2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid
CID 81013735
1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
CID 39057983
4-tert-butyl-2-(2-chloro-5-fluorophenyl)cyclohexane-1-carboxylic acid
CID 105396244
(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 7145905
4-(4-methylphenyl)oxane-3-carboxylic acid
CID 84787423
trans-(1R,3R)-3-tert-butylcyclopentane-1-carboxylic acid
CID 15315966
(3S,4R)-1-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124669579

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid (CID 81020836) is 4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid is Cc1ccc(C2CC(C(C)(C)C)CCC2C(=O)O)cc1.
What is the InChIKey of 4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is WEKNFPLPXDIXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-12-5-7-13(8-6-12)16-11-14(18(2,3)4)9-10-15(16)17(19)20/h5-8,14-16H,9-11H2,1-4H3,(H,19,20).
What are the key properties of 4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid?
4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 274.40 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).