4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one

C13H12O2 — CID 22363391

IUPAC4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(Cc2ccccc2O)=CC1
InChIInChI=1S/C13H12O2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-7,15H,8-9H2
InChIKeyLTJLEEJAMWOUDT-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.39
Rot. Bonds2

About 4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one

4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one (PubChem CID 22363391) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one
PubChem CID22363391
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(Cc2ccccc2O)=CC1
InChIInChI=1S/C13H12O2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-7,15H,8-9H2
InChIKeyLTJLEEJAMWOUDT-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-Cresol
CID 335
(1,1'-Biphenyl)-2-ol
CID 7017
(2-Hydroxyphenyl)acetic acid
CID 11970
2-Ethylphenol
CID 6997
P-Coumaric Acid
CID 637542
Bis(4-hydroxyphenyl)methane
CID 12111
O-Coumaric Acid
CID 637540
Nonylphenol
CID 67296
3-coumaric acid, (E)-
CID 637541
Bisdemethoxycurcumin
CID 5315472
4-(4'-Hydroxyphenyl)-2-butanone
CID 21648
2'-Hydroxyacetophenone
CID 8375

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one?
The IUPAC name of 4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one (CID 22363391) is 4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one is O=C1C=CC(Cc2ccccc2O)=CC1.
What is the InChIKey of 4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one?
The InChIKey is LTJLEEJAMWOUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-7,15H,8-9H2.
What are the key properties of 4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one?
4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one has a molecular weight of 200.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 22363391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).