3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol

C23H30O2 — CID 12788212

IUPAC3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol
SMILESCC(C)(C)c1ccc(C2CCCC(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
InChIKeyLXIHVZDCCCRQOD-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.58
Rot. Bonds4

About 3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol

3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol (PubChem CID 12788212) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol
PubChem CID12788212
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol
SMILESCC(C)(C)c1ccc(C2CCCC(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
InChIKeyLXIHVZDCCCRQOD-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol (CID 12788212) is 3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol is CC(C)(C)c1ccc(C2CCCC(O)C2)c(OCc2ccccc2)c1.
What is the InChIKey of 3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol?
The InChIKey is LXIHVZDCCCRQOD-UHFFFAOYSA-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.
What are the key properties of 3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol?
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 3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 12788212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).