4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid

C26H40O2 — CID 18659085

IUPAC4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid
SMILESCCCCC1(c2ccc(CCC)cc2)CCC(C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C26H40O2/c1-3-5-17-26(24-13-7-20(6-4-2)8-14-24)18-15-22(16-19-26)21-9-11-23(12-10-21)25(27)28/h7-8,13-14,21-23H,3-6,9-12,15-19H2,1-2H3,(H,27,28)
InChIKeyKDQBMAATXJHNKS-UHFFFAOYSA-N
MW384.60 g/mol
LogP7.15
Rot. Bonds8

About 4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid

4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid (PubChem CID 18659085) has the molecular formula C26H40O2 and a molecular weight of 384.60 g/mol. Its IUPAC name is 4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid
PubChem CID18659085
Molecular FormulaC26H40O2
Molecular Weight384.60 g/mol
Exact Mass384.30
IUPAC Name4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid
SMILESCCCCC1(c2ccc(CCC)cc2)CCC(C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C26H40O2/c1-3-5-17-26(24-13-7-20(6-4-2)8-14-24)18-15-22(16-19-26)21-9-11-23(12-10-21)25(27)28/h7-8,13-14,21-23H,3-6,9-12,15-19H2,1-2H3,(H,27,28)
InChIKeyKDQBMAATXJHNKS-UHFFFAOYSA-N
XLogP7.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-4-(4-pentylphenyl)cyclohexane-1-carboxylic acid
CID 23181686
4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid
CID 56979424
4-(4-pentylcyclohexyl)-1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]cyclohexane-1-carboxylic acid
CID 57164054
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
(4-propylphenyl) 4-(4-octylcyclohexyl)cyclohexane-1-carboxylate
CID 23335037
4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid
CID 122031119
4-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]cyclohexane-1-carboxylic acid
CID 141265956
1-[1-(4-butylphenyl)cyclopropyl]propan-1-one
CID 174432527
methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate
CID 19986751
(1-butylcyclobutyl)benzene
CID 57200184
4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid
CID 23354830
1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096237

Frequently Asked Questions

What is the IUPAC name of 4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid (CID 18659085) is 4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid is CCCCC1(c2ccc(CCC)cc2)CCC(C2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid?
The InChIKey is KDQBMAATXJHNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2/c1-3-5-17-26(24-13-7-20(6-4-2)8-14-24)18-15-22(16-19-26)21-9-11-23(12-10-21)25(27)28/h7-8,13-14,21-23H,3-6,9-12,15-19H2,1-2H3,(H,27,28).
What are the key properties of 4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid?
4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid has a molecular weight of 384.60 g/mol, XLogP of 7.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 18659085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).