4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol

C17H26O2 — CID 53463289

IUPAC4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol
SMILESCOC1CC(C(C)(C)C)CCC1(O)c1ccccc1
InChIInChI=1S/C17H26O2/c1-16(2,3)14-10-11-17(18,15(12-14)19-4)13-8-6-5-7-9-13/h5-9,14-15,18H,10-12H2,1-4H3
InChIKeyGWDCXZPTHRTPGC-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.74
Rot. Bonds2

About 4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol

4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol (PubChem CID 53463289) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol
PubChem CID53463289
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol
SMILESCOC1CC(C(C)(C)C)CCC1(O)c1ccccc1
InChIInChI=1S/C17H26O2/c1-16(2,3)14-10-11-17(18,15(12-14)19-4)13-8-6-5-7-9-13/h5-9,14-15,18H,10-12H2,1-4H3
InChIKeyGWDCXZPTHRTPGC-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2-methoxy-1-phenylcyclohexan-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-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol (CID 53463289) is 4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol is COC1CC(C(C)(C)C)CCC1(O)c1ccccc1.
What is the InChIKey of 4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol?
The InChIKey is GWDCXZPTHRTPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-16(2,3)14-10-11-17(18,15(12-14)19-4)13-8-6-5-7-9-13/h5-9,14-15,18H,10-12H2,1-4H3.
What are the key properties of 4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol?
4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol is sourced from PubChem (CID 53463289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).