cis-(1S,3S)-1-phenylcyclohexane-1,3-diol

C12H16O2 — CID 130757537

IUPACcis-(1S,3S)-1-phenylcyclohexane-1,3-diol
SMILESO[C@H]1CCC[C@@](O)(c2ccccc2)C1
InChIInChI=1S/C12H16O2/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h1-3,5-6,11,13-14H,4,7-9H2/t11-,12-/m0/s1
InChIKeyIENRHVIVICWUBI-RYUDHWBXSA-N
MW192.26 g/mol
LogP1.81
Rot. Bonds1

About cis-(1S,3S)-1-phenylcyclohexane-1,3-diol

cis-(1S,3S)-1-phenylcyclohexane-1,3-diol (PubChem CID 130757537) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is cis-(1S,3S)-1-phenylcyclohexane-1,3-diol.

Molecular Properties

Compound Namecis-(1S,3S)-1-phenylcyclohexane-1,3-diol
PubChem CID130757537
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namecis-(1S,3S)-1-phenylcyclohexane-1,3-diol
SMILESO[C@H]1CCC[C@@](O)(c2ccccc2)C1
InChIInChI=1S/C12H16O2/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h1-3,5-6,11,13-14H,4,7-9H2/t11-,12-/m0/s1
InChIKeyIENRHVIVICWUBI-RYUDHWBXSA-N
XLogP1.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-phenylcyclohexan-1-ol
CID 80562038
azane;1-phenylcyclobutan-1-ol
CID 175547532
copper;1-phenylcyclohexan-1-ol
CID 174727157
3-phenyl-3-piperidin-1-ylcyclohexan-1-ol
CID 524773
ethane;1-phenylcyclohexan-1-ol
CID 144640846
4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687
4-amino-1-phenylcyclohexan-1-ol
CID 3039766
9-oxo-3-phenyl-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171951990
4-hydroxy-4-phenylcyclohexane-1-carboxylic acid
CID 58909501
(3R)-3-phenylthian-3-ol
CID 124510207
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
cis-(1R,2S)-2-amino-1-phenylcyclopentan-1-ol
CID 92978161

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1-phenylcyclohexane-1,3-diol?
The IUPAC name of cis-(1S,3S)-1-phenylcyclohexane-1,3-diol (CID 130757537) is cis-(1S,3S)-1-phenylcyclohexane-1,3-diol.
What is the SMILES notation for cis-(1S,3S)-1-phenylcyclohexane-1,3-diol?
The canonical SMILES for cis-(1S,3S)-1-phenylcyclohexane-1,3-diol is O[C@H]1CCC[C@@](O)(c2ccccc2)C1.
What is the InChIKey of cis-(1S,3S)-1-phenylcyclohexane-1,3-diol?
The InChIKey is IENRHVIVICWUBI-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16O2/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h1-3,5-6,11,13-14H,4,7-9H2/t11-,12-/m0/s1.
What are the key properties of cis-(1S,3S)-1-phenylcyclohexane-1,3-diol?
cis-(1S,3S)-1-phenylcyclohexane-1,3-diol has a molecular weight of 192.26 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-1-phenylcyclohexane-1,3-diol is sourced from PubChem (CID 130757537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).