cis-(1S,2S)-2-phenylcyclohexan-1-ol

C12H16O — CID 10942990

IUPACcis-(1S,2S)-2-phenylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12-/m0/s1
InChIKeyAAIBYZBZXNWTPP-RYUDHWBXSA-N
MW176.26 g/mol
LogP2.71
Rot. Bonds1

About cis-(1S,2S)-2-phenylcyclohexan-1-ol

cis-(1S,2S)-2-phenylcyclohexan-1-ol (PubChem CID 10942990) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is cis-(1S,2S)-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-phenylcyclohexan-1-ol
PubChem CID10942990
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Namecis-(1S,2S)-2-phenylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12-/m0/s1
InChIKeyAAIBYZBZXNWTPP-RYUDHWBXSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-phenylcyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-2-phenylcyclohexan-1-ol (CID 10942990) is cis-(1S,2S)-2-phenylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-phenylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-phenylcyclohexan-1-ol is O[C@H]1CCCC[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2S)-2-phenylcyclohexan-1-ol?
The InChIKey is AAIBYZBZXNWTPP-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12-/m0/s1.
What are the key properties of cis-(1S,2S)-2-phenylcyclohexan-1-ol?
cis-(1S,2S)-2-phenylcyclohexan-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 10942990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).