1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol

C8H12O3 — CID 70446481

IUPAC1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol
SMILESCC(O)C1(O)C=CC=C(O)C1
InChIInChI=1S/C8H12O3/c1-6(9)8(11)4-2-3-7(10)5-8/h2-4,6,9-11H,5H2,1H3
InChIKeyMBROSAPSIOXSSQ-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.50
Rot. Bonds1

About 1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol

1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol (PubChem CID 70446481) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol
PubChem CID70446481
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol
SMILESCC(O)C1(O)C=CC=C(O)C1
InChIInChI=1S/C8H12O3/c1-6(9)8(11)4-2-3-7(10)5-8/h2-4,6,9-11H,5H2,1H3
InChIKeyMBROSAPSIOXSSQ-UHFFFAOYSA-N
XLogP0.50
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol (CID 70446481) is 1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol is CC(O)C1(O)C=CC=C(O)C1.
What is the InChIKey of 1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol?
The InChIKey is MBROSAPSIOXSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-6(9)8(11)4-2-3-7(10)5-8/h2-4,6,9-11H,5H2,1H3.
What are the key properties of 1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol?
1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol has a molecular weight of 156.18 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)cyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 70446481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).