1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol

C19H30O — CID 65147469

IUPAC1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H30O/c1-4-5-16-10-12-19(20,13-11-16)14-17-6-8-18(9-7-17)15(2)3/h6-9,15-16,20H,4-5,10-14H2,1-3H3
InChIKeyPITXUWJBZAOHFI-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.07
Rot. Bonds5

About 1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol

1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol (PubChem CID 65147469) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol
PubChem CID65147469
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H30O/c1-4-5-16-10-12-19(20,13-11-16)14-17-6-8-18(9-7-17)15(2)3/h6-9,15-16,20H,4-5,10-14H2,1-3H3
InChIKeyPITXUWJBZAOHFI-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-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

4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65147785
1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 65153807
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424072
1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151513
3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65154218
1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 65147671
1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 107307327
1-(furan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 83171205
1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 65146674
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 65409274
1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090405
1-(propan-2-yloxymethyl)-4-propylcyclohexan-1-ol
CID 79568462

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol (CID 65147469) is 1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)(Cc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol?
The InChIKey is PITXUWJBZAOHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-4-5-16-10-12-19(20,13-11-16)14-17-6-8-18(9-7-17)15(2)3/h6-9,15-16,20H,4-5,10-14H2,1-3H3.
What are the key properties of 1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol?
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol has a molecular weight of 274.45 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 65147469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).