4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid

C20H30O2 — CID 117487407

IUPAC4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid
SMILESCC(C)(C)C1CCC(c2ccccc2CCCC(=O)O)CC1
InChIInChI=1S/C20H30O2/c1-20(2,3)17-13-11-16(12-14-17)18-9-5-4-7-15(18)8-6-10-19(21)22/h4-5,7,9,16-17H,6,8,10-14H2,1-3H3,(H,21,22)
InChIKeyDLRDEQLCHQVCHC-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.41
Rot. Bonds5

About 4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid

4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid (PubChem CID 117487407) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid
PubChem CID117487407
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid
SMILESCC(C)(C)C1CCC(c2ccccc2CCCC(=O)O)CC1
InChIInChI=1S/C20H30O2/c1-20(2,3)17-13-11-16(12-14-17)18-9-5-4-7-15(18)8-6-10-19(21)22/h4-5,7,9,16-17H,6,8,10-14H2,1-3H3,(H,21,22)
InChIKeyDLRDEQLCHQVCHC-UHFFFAOYSA-N
XLogP5.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine
CID 117403099
4-[2-(1-methylazepan-4-yl)phenyl]butanoic acid
CID 117440756
4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid
CID 174516681
3-[2-(4,4-dimethylcyclohexyl)phenyl]propanoic acid
CID 117405464
3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one
CID 117464194
4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 62718559
2-[(2-cyclopropylphenyl)methylamino]acetic acid
CID 79979274
1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine
CID 117441204
3-[3-(4-tert-butylcyclohexyl)phenyl]propanoic acid
CID 117466138
1-[2-(4-tert-butylcyclohexyl)phenyl]cyclopropane-1-carboxylic acid
CID 117484282
1-cyclopropyl-2-hexylbenzene
CID 172995295
2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine
CID 113252305

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid?
The IUPAC name of 4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid (CID 117487407) is 4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid?
The canonical SMILES for 4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid is CC(C)(C)C1CCC(c2ccccc2CCCC(=O)O)CC1.
What is the InChIKey of 4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid?
The InChIKey is DLRDEQLCHQVCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-20(2,3)17-13-11-16(12-14-17)18-9-5-4-7-15(18)8-6-10-19(21)22/h4-5,7,9,16-17H,6,8,10-14H2,1-3H3,(H,21,22).
What are the key properties of 4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid?
4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid has a molecular weight of 302.46 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid is sourced from PubChem (CID 117487407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).