4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid

C19H28O2 — CID 81013895

IUPAC4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(CC2CC(C)(C)CCC2C(=O)O)cc1
InChIInChI=1S/C19H28O2/c1-13(2)15-7-5-14(6-8-15)11-16-12-19(3,4)10-9-17(16)18(20)21/h5-8,13,16-17H,9-12H2,1-4H3,(H,20,21)
InChIKeyDVDTWRPONSLVBF-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.88
Rot. Bonds4

About 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid

4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 81013895) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid
PubChem CID81013895
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(CC2CC(C)(C)CCC2C(=O)O)cc1
InChIInChI=1S/C19H28O2/c1-13(2)15-7-5-14(6-8-15)11-16-12-19(3,4)10-9-17(16)18(20)21/h5-8,13,16-17H,9-12H2,1-4H3,(H,20,21)
InChIKeyDVDTWRPONSLVBF-UHFFFAOYSA-N
XLogP4.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 106870919
2-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021094
2-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021177
2-[(4-ethylphenyl)methyl]cycloheptane-1-carboxylic acid
CID 81009224
2-butan-2-yl-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81020356
5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 134223782
2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 64909833
2-[(4-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81021533
2-hexyl-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021000
3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550612
3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65154218
2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 81009457

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid (CID 81013895) is 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid is CC(C)c1ccc(CC2CC(C)(C)CCC2C(=O)O)cc1.
What is the InChIKey of 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DVDTWRPONSLVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-13(2)15-7-5-14(6-8-15)11-16-12-19(3,4)10-9-17(16)18(20)21/h5-8,13,16-17H,9-12H2,1-4H3,(H,20,21).
What are the key properties of 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid?
4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 288.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81013895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).