4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol

C20H32O — CID 65151218

IUPAC4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol
SMILESCC(C)(C)C1CCCC(O)(CCCc2ccccc2)CC1
InChIInChI=1S/C20H32O/c1-19(2,3)18-12-8-15-20(21,16-13-18)14-7-11-17-9-5-4-6-10-17/h4-6,9-10,18,21H,7-8,11-16H2,1-3H3
InChIKeyUHFYSKLIYCQRPD-UHFFFAOYSA-N
MW288.47 g/mol
LogP5.37
Rot. Bonds4

About 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol

4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol (PubChem CID 65151218) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol
PubChem CID65151218
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol
SMILESCC(C)(C)C1CCCC(O)(CCCc2ccccc2)CC1
InChIInChI=1S/C20H32O/c1-19(2,3)18-12-8-15-20(21,16-13-18)14-7-11-17-9-5-4-6-10-17/h4-6,9-10,18,21H,7-8,11-16H2,1-3H3
InChIKeyUHFYSKLIYCQRPD-UHFFFAOYSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-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-(3-phenylpropyl)cycloheptan-1-amine
CID 65090155
1-(3-phenylpropyl)-4-propylcycloheptan-1-ol
CID 65151413
[4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol
CID 66024369
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
CID 65085385
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
1-[(3-bromophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65094519
1-methyl-4-(3-phenylpropyl)piperidin-4-ol
CID 65146368
4-tert-butyl-1-[(2,6-dichlorophenyl)methyl]cycloheptan-1-ol
CID 65151667
1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol
CID 65401121
(1-anilino-4-tert-butylcycloheptyl)methanol
CID 65094624
2-(3-phenylpropyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 65146680

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol?
The IUPAC name of 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol (CID 65151218) is 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol?
The canonical SMILES for 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol is CC(C)(C)C1CCCC(O)(CCCc2ccccc2)CC1.
What is the InChIKey of 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol?
The InChIKey is UHFYSKLIYCQRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-19(2,3)18-12-8-15-20(21,16-13-18)14-7-11-17-9-5-4-6-10-17/h4-6,9-10,18,21H,7-8,11-16H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol?
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol has a molecular weight of 288.47 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol is sourced from PubChem (CID 65151218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).