4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol

C24H36O — CID 18952843

IUPAC4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol
SMILESCCCCCc1ccc(C#CC(O)CC2CCC(CCC)CC2)cc1
InChIInChI=1S/C24H36O/c1-3-5-6-8-21-9-11-22(12-10-21)17-18-24(25)19-23-15-13-20(7-4-2)14-16-23/h9-12,20,23-25H,3-8,13-16,19H2,1-2H3
InChIKeyRBYNFGQEZBUDEO-UHFFFAOYSA-N
MW340.55 g/mol
LogP6.13
Rot. Bonds8

About 4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol

4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol (PubChem CID 18952843) has the molecular formula C24H36O and a molecular weight of 340.55 g/mol. Its IUPAC name is 4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol.

Molecular Properties

Compound Name4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol
PubChem CID18952843
Molecular FormulaC24H36O
Molecular Weight340.55 g/mol
Exact Mass340.28
IUPAC Name4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol
SMILESCCCCCc1ccc(C#CC(O)CC2CCC(CCC)CC2)cc1
InChIInChI=1S/C24H36O/c1-3-5-6-8-21-9-11-22(12-10-21)17-18-24(25)19-23-15-13-20(7-4-2)14-16-23/h9-12,20,23-25H,3-8,13-16,19H2,1-2H3
InChIKeyRBYNFGQEZBUDEO-UHFFFAOYSA-N
XLogP6.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butylphenyl)oct-1-yn-3-ol
CID 146002782
1-pentyl-4-[2-[4-[(4-propylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933635
1-pentyl-4-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]but-3-en-1-ynyl]benzene
CID 54156877
1-pentyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 54166796
[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate
CID 21057511
1-pentyl-4-[(E)-6-(4-pentylcyclohexyl)hex-3-en-1,5-diynyl]benzene
CID 19424858
1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene
CID 22089376
1-[2-(4-decylcyclohexyl)ethyl]-4-[2-(4-oct-7-enylphenyl)ethynyl]benzene
CID 139787889
1-[(E)-6-(4-butylcyclohexyl)hex-3-en-1,5-diynyl]-4-hexylbenzene
CID 19424947
CID 19690531
CID 19690531
1,3-difluoro-2-[2-(4-pentylphenyl)ethynyl]-5-(4-propylcyclohexyl)benzene
CID 101164594
1-(4-decylphenyl)penta-1,4-diyn-3-ol
CID 167507380

Frequently Asked Questions

What is the IUPAC name of 4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol?
The IUPAC name of 4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol (CID 18952843) is 4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol.
What is the SMILES notation for 4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol?
The canonical SMILES for 4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol is CCCCCc1ccc(C#CC(O)CC2CCC(CCC)CC2)cc1.
What is the InChIKey of 4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol?
The InChIKey is RBYNFGQEZBUDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O/c1-3-5-6-8-21-9-11-22(12-10-21)17-18-24(25)19-23-15-13-20(7-4-2)14-16-23/h9-12,20,23-25H,3-8,13-16,19H2,1-2H3.
What are the key properties of 4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol?
4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol has a molecular weight of 340.55 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pentylphenyl)-1-(4-propylcyclohexyl)but-3-yn-2-ol is sourced from PubChem (CID 18952843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).