3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol

C12H18O3 — CID 85213242

IUPAC3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol
SMILESOC1C=CC=C(C2CCCCC2O)C1O
InChIInChI=1S/C12H18O3/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h3,5,7-8,10-15H,1-2,4,6H2
InChIKeyIIXDGBUFKPBBHB-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.76
Rot. Bonds1

About 3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol

3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol (PubChem CID 85213242) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol
PubChem CID85213242
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol
SMILESOC1C=CC=C(C2CCCCC2O)C1O
InChIInChI=1S/C12H18O3/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h3,5,7-8,10-15H,1-2,4,6H2
InChIKeyIIXDGBUFKPBBHB-UHFFFAOYSA-N
XLogP0.76
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol (CID 85213242) is 3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol is OC1C=CC=C(C2CCCCC2O)C1O.
What is the InChIKey of 3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol?
The InChIKey is IIXDGBUFKPBBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h3,5,7-8,10-15H,1-2,4,6H2.
What are the key properties of 3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol?
3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol has a molecular weight of 210.27 g/mol, XLogP of 0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 85213242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).