trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol

C13H18O — CID 11263979

IUPACtrans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
SMILESCc1ccccc1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H18O/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14/h2-3,6-7,12-14H,4-5,8-9H2,1H3/t12-,13+/m0/s1
InChIKeyFTDCRHPZMQFMID-QWHCGFSZSA-N
MW190.29 g/mol
LogP3.01
Rot. Bonds1

About trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol

trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol (PubChem CID 11263979) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
PubChem CID11263979
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Nametrans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
SMILESCc1ccccc1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H18O/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14/h2-3,6-7,12-14H,4-5,8-9H2,1H3/t12-,13+/m0/s1
InChIKeyFTDCRHPZMQFMID-QWHCGFSZSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Phenyl-1-propanol
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1,2,3,4-Tetrahydro-2-naphthalenol
CID 10747
4-Phenyl-2-butanol
CID 61302
5-Phenyl-1-pentanol
CID 61523
Phenylisohexanol
CID 108312
1-Phenyl-2-pentanol
CID 61202
2-Phenylcyclohexanol
CID 15046
2-Methylphenethyl alcohol
CID 88267
1-Phenyl-2-propanol
CID 94185

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol (CID 11263979) is trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol is Cc1ccccc1[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol?
The InChIKey is FTDCRHPZMQFMID-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H18O/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14/h2-3,6-7,12-14H,4-5,8-9H2,1H3/t12-,13+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol?
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 11263979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).