cis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol

C17H26O — CID 3056588

IUPACcis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol
SMILESCC[C@@H]1CCCC[C@@]1(O)c1ccccc1C(C)C
InChIInChI=1S/C17H26O/c1-4-14-9-7-8-12-17(14,18)16-11-6-5-10-15(16)13(2)3/h5-6,10-11,13-14,18H,4,7-9,12H2,1-3H3/t14-,17+/m1/s1
InChIKeyWHUFBEHCKUVMNM-PBHICJAKSA-N
MW246.39 g/mol
LogP4.60
Rot. Bonds3

About cis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol

cis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol (PubChem CID 3056588) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is cis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol
PubChem CID3056588
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Namecis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol
SMILESCC[C@@H]1CCCC[C@@]1(O)c1ccccc1C(C)C
InChIInChI=1S/C17H26O/c1-4-14-9-7-8-12-17(14,18)16-11-6-5-10-15(16)13(2)3/h5-6,10-11,13-14,18H,4,7-9,12H2,1-3H3/t14-,17+/m1/s1
InChIKeyWHUFBEHCKUVMNM-PBHICJAKSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-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 cis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol (CID 3056588) is cis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol is CC[C@@H]1CCCC[C@@]1(O)c1ccccc1C(C)C.
What is the InChIKey of cis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol?
The InChIKey is WHUFBEHCKUVMNM-PBHICJAKSA-N. The full InChI is InChI=1S/C17H26O/c1-4-14-9-7-8-12-17(14,18)16-11-6-5-10-15(16)13(2)3/h5-6,10-11,13-14,18H,4,7-9,12H2,1-3H3/t14-,17+/m1/s1.
What are the key properties of cis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol?
cis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-ethyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 3056588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).