cis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol

C23H30O2 — CID 54057558

IUPACcis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol
SMILESCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H30O2/c1-23(2,3)19-12-13-21(18-10-7-11-20(24)14-18)22(15-19)25-16-17-8-5-4-6-9-17/h4-6,8-9,12-13,15,18,20,24H,7,10-11,14,16H2,1-3H3/t18-,20+/m0/s1
InChIKeyLXIHVZDCCCRQOD-AZUAARDMSA-N
MW338.49 g/mol
LogP5.58
Rot. Bonds4

About cis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol

cis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol (PubChem CID 54057558) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is cis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol
PubChem CID54057558
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Namecis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol
SMILESCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H30O2/c1-23(2,3)19-12-13-21(18-10-7-11-20(24)14-18)22(15-19)25-16-17-8-5-4-6-9-17/h4-6,8-9,12-13,15,18,20,24H,7,10-11,14,16H2,1-3H3/t18-,20+/m0/s1
InChIKeyLXIHVZDCCCRQOD-AZUAARDMSA-N
XLogP5.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)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-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol (CID 54057558) is cis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol is CC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OCc2ccccc2)c1.
What is the InChIKey of cis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol?
The InChIKey is LXIHVZDCCCRQOD-AZUAARDMSA-N. The full InChI is InChI=1S/C23H30O2/c1-23(2,3)19-12-13-21(18-10-7-11-20(24)14-18)22(15-19)25-16-17-8-5-4-6-9-17/h4-6,8-9,12-13,15,18,20,24H,7,10-11,14,16H2,1-3H3/t18-,20+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol?
cis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol has a molecular weight of 338.49 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 54057558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).