4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol

C18H28O — CID 65086189

IUPAC4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol
SMILESCCC1CCCC(O)(c2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C18H28O/c1-5-16-7-6-9-18(19,10-8-16)17-12-14(3)13(2)11-15(17)4/h11-12,16,19H,5-10H2,1-4H3
InChIKeyYKKGQCNZCWLOOC-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.79
Rot. Bonds2

About 4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol

4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol (PubChem CID 65086189) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol
PubChem CID65086189
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol
SMILESCCC1CCCC(O)(c2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C18H28O/c1-5-16-7-6-9-18(19,10-8-16)17-12-14(3)13(2)11-15(17)4/h11-12,16,19H,5-10H2,1-4H3
InChIKeyYKKGQCNZCWLOOC-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-1-(2,4,5-trimethylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol?
The IUPAC name of 4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol (CID 65086189) is 4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol.
What is the SMILES notation for 4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol?
The canonical SMILES for 4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol is CCC1CCCC(O)(c2cc(C)c(C)cc2C)CC1.
What is the InChIKey of 4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol?
The InChIKey is YKKGQCNZCWLOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-5-16-7-6-9-18(19,10-8-16)17-12-14(3)13(2)11-15(17)4/h11-12,16,19H,5-10H2,1-4H3.
What are the key properties of 4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol?
4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol is sourced from PubChem (CID 65086189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).