2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol

C13H12O — CID 141109666

IUPAC2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol
SMILESOc1ccccc1C=C1C=CC=CC1
InChIInChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-6,8-10,14H,7H2
InChIKeyKTILNSLKNQWIGQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.29
Rot. Bonds1

About 2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol

2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol (PubChem CID 141109666) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol.

Molecular Properties

Compound Name2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol
PubChem CID141109666
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol
SMILESOc1ccccc1C=C1C=CC=CC1
InChIInChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-6,8-10,14H,7H2
InChIKeyKTILNSLKNQWIGQ-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexa-2,4-dien-1-ylidenemethylbenzene
CID 54483415
1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene
CID 152609738
(Z,4E)-4-cyclohexa-2,4-dien-1-ylidene-N-methylbut-2-en-2-amine
CID 143168255
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine
CID 145442127
2-[(E)-(2-amino-1,3-thiazol-4-ylidene)methyl]phenol
CID 91621048
2-ethenylphenol
CID 161061609
(2-hydroxyphenyl)methylideneiron
CID 87449748
(2-hydroxyphenyl)methylideneruthenium(1+)
CID 145329555
CID 158421076
CID 158421076
2-hydroxybenzaldehyde;methanamine
CID 174602056
zinc 2-(methyliminomethyl)phenol
CID 135422153

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol?
The IUPAC name of 2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol (CID 141109666) is 2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol.
What is the SMILES notation for 2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol?
The canonical SMILES for 2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol is Oc1ccccc1C=C1C=CC=CC1.
What is the InChIKey of 2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol?
The InChIKey is KTILNSLKNQWIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-6,8-10,14H,7H2.
What are the key properties of 2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol?
2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol has a molecular weight of 184.24 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol is sourced from PubChem (CID 141109666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).