4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid

C20H30O2 — CID 56979424

IUPAC4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid
SMILESCCCCC1CCC(C(=O)O)(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C20H30O2/c1-3-5-7-17-12-14-20(15-13-17,19(21)22)18-10-8-16(6-4-2)9-11-18/h8-11,17H,3-7,12-15H2,1-2H3,(H,21,22)
InChIKeyLNZZIXQRKODPPS-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.34
Rot. Bonds7

About 4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid

4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 56979424) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid
PubChem CID56979424
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid
SMILESCCCCC1CCC(C(=O)O)(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C20H30O2/c1-3-5-7-17-12-14-20(15-13-17,19(21)22)18-10-8-16(6-4-2)9-11-18/h8-11,17H,3-7,12-15H2,1-2H3,(H,21,22)
InChIKeyLNZZIXQRKODPPS-UHFFFAOYSA-N
XLogP5.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-pentylcyclohexyl)-1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]cyclohexane-1-carboxylic acid
CID 57164054
1-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-4-propylcyclohexane-1-carboxylic acid
CID 67939995
4-pentyl-1-(3,4,5-trifluorophenyl)cyclohexane-1-carboxylic acid
CID 57165971
1-(4-fluorophenyl)-4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid
CID 57221369
1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-4-propylcyclohexane-1-carboxylic acid
CID 173398800
1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid
CID 88636319
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
4-butyl-1-(pyridin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 79426310
4-butyl-1-(4-pentylphenyl)cyclohexane-1-carbonitrile
CID 18596983
1-(3,4-difluorophenyl)-4-pentylcyclohexane-1-carboxylate
CID 46864047
1-[1-(4-butylphenyl)cyclopropyl]propan-1-one
CID 174432527
1-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]-4-propylcyclohexane-1-carboxylic acid
CID 67787140

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid (CID 56979424) is 4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid is CCCCC1CCC(C(=O)O)(c2ccc(CCC)cc2)CC1.
What is the InChIKey of 4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is LNZZIXQRKODPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-3-5-7-17-12-14-20(15-13-17,19(21)22)18-10-8-16(6-4-2)9-11-18/h8-11,17H,3-7,12-15H2,1-2H3,(H,21,22).
What are the key properties of 4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid?
4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 302.46 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 56979424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).