2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol

C12H12O2 — CID 142841188

IUPAC2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol
SMILESOC1=C(c2ccccc2O)CCC=C1
InChIInChI=1S/C12H12O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3-5,7-8,13-14H,2,6H2
InChIKeyMMNKQQLMDATOOV-UHFFFAOYSA-N
MW188.23 g/mol
LogP3.01
Rot. Bonds1

About 2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol

2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol (PubChem CID 142841188) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol.

Molecular Properties

Compound Name2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol
PubChem CID142841188
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol
SMILESOC1=C(c2ccccc2O)CCC=C1
InChIInChI=1S/C12H12O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3-5,7-8,13-14H,2,6H2
InChIKeyMMNKQQLMDATOOV-UHFFFAOYSA-N
XLogP3.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol?
The IUPAC name of 2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol (CID 142841188) is 2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol.
What is the SMILES notation for 2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol?
The canonical SMILES for 2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol is OC1=C(c2ccccc2O)CCC=C1.
What is the InChIKey of 2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol?
The InChIKey is MMNKQQLMDATOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3-5,7-8,13-14H,2,6H2.
What are the key properties of 2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol?
2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol has a molecular weight of 188.23 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol is sourced from PubChem (CID 142841188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).