2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol

C12H14O2 — CID 123397571

IUPAC2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol
SMILESOC1CC=CC=C1C1=CC=CCC1O
InChIInChI=1S/C12H14O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-6,11-14H,7-8H2
InChIKeyRZDQCIJGBPOOCE-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.48
Rot. Bonds1

About 2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol

2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 123397571) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol
PubChem CID123397571
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol
SMILESOC1CC=CC=C1C1=CC=CCC1O
InChIInChI=1S/C12H14O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-6,11-14H,7-8H2
InChIKeyRZDQCIJGBPOOCE-UHFFFAOYSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol (CID 123397571) is 2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol is OC1CC=CC=C1C1=CC=CCC1O.
What is the InChIKey of 2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is RZDQCIJGBPOOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-6,11-14H,7-8H2.
What are the key properties of 2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol?
2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 190.24 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 123397571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).