ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol

C9H16O2 — CID 145169284

IUPACethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
SMILESCC.OCC1C=CC=CC1O
InChIInChI=1S/C7H10O2.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h1-4,6-9H,5H2;1-2H3
InChIKeyIGNURORGVNGPNF-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.11
Rot. Bonds1

About ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol

ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 145169284) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Nameethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
PubChem CID145169284
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Nameethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
SMILESCC.OCC1C=CC=CC1O
InChIInChI=1S/C7H10O2.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h1-4,6-9H,5H2;1-2H3
InChIKeyIGNURORGVNGPNF-UHFFFAOYSA-N
XLogP1.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol (CID 145169284) is ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol is CC.OCC1C=CC=CC1O.
What is the InChIKey of ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is IGNURORGVNGPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h1-4,6-9H,5H2;1-2H3.
What are the key properties of ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 145169284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).