1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol

C18H28O — CID 65090466

IUPAC1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol
SMILESCCc1ccc(C2(O)CCCC(C(C)C)CC2)cc1
InChIInChI=1S/C18H28O/c1-4-15-7-9-17(10-8-15)18(19)12-5-6-16(11-13-18)14(2)3/h7-10,14,16,19H,4-6,11-13H2,1-3H3
InChIKeyZDNNLZAKWVGXMS-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.67
Rot. Bonds3

About 1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol

1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol (PubChem CID 65090466) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol
PubChem CID65090466
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol
SMILESCCc1ccc(C2(O)CCCC(C(C)C)CC2)cc1
InChIInChI=1S/C18H28O/c1-4-15-7-9-17(10-8-15)18(19)12-5-6-16(11-13-18)14(2)3/h7-10,14,16,19H,4-6,11-13H2,1-3H3
InChIKeyZDNNLZAKWVGXMS-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-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

1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449675
1-(4-ethylphenyl)-4-methylcycloheptan-1-ol
CID 65085121
4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
CID 63406977
1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 116505382
1-(4-methylphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 63406811
1-(4-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 55105917
1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449706
4-(4-ethylphenyl)oxan-4-ol
CID 63222829
4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol
CID 81196652
4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687
1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090612
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol?
The IUPAC name of 1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol (CID 65090466) is 1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol?
The canonical SMILES for 1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol is CCc1ccc(C2(O)CCCC(C(C)C)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol?
The InChIKey is ZDNNLZAKWVGXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-4-15-7-9-17(10-8-15)18(19)12-5-6-16(11-13-18)14(2)3/h7-10,14,16,19H,4-6,11-13H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol?
1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol is sourced from PubChem (CID 65090466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).