trans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol

C16H24O — CID 3056661

IUPACtrans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol
SMILESCC(C)c1ccccc1[C@]1(O)CCCC[C@H]1C
InChIInChI=1S/C16H24O/c1-12(2)14-9-4-5-10-15(14)16(17)11-7-6-8-13(16)3/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3/t13-,16+/m1/s1
InChIKeyQPBHJMJXTKYEFN-CJNGLKHVSA-N
MW232.37 g/mol
LogP4.21
Rot. Bonds2

About trans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol

trans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol (PubChem CID 3056661) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is trans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol
PubChem CID3056661
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Nametrans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol
SMILESCC(C)c1ccccc1[C@]1(O)CCCC[C@H]1C
InChIInChI=1S/C16H24O/c1-12(2)14-9-4-5-10-15(14)16(17)11-7-6-8-13(16)3/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3/t13-,16+/m1/s1
InChIKeyQPBHJMJXTKYEFN-CJNGLKHVSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol (CID 3056661) is trans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol is CC(C)c1ccccc1[C@]1(O)CCCC[C@H]1C.
What is the InChIKey of trans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol?
The InChIKey is QPBHJMJXTKYEFN-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H24O/c1-12(2)14-9-4-5-10-15(14)16(17)11-7-6-8-13(16)3/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of trans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol?
trans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-methyl-1-(2-propan-2-ylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 3056661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).