6-benzylcyclohexa-2,4-dien-1-one

C13H12O — CID 14833665

IUPAC6-benzylcyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1Cc1ccccc1
InChIInChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,12H,10H2
InChIKeyRLVUACSSHRFWSU-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.54
Rot. Bonds2

About 6-benzylcyclohexa-2,4-dien-1-one

6-benzylcyclohexa-2,4-dien-1-one (PubChem CID 14833665) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 6-benzylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-benzylcyclohexa-2,4-dien-1-one
PubChem CID14833665
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name6-benzylcyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1Cc1ccccc1
InChIInChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,12H,10H2
InChIKeyRLVUACSSHRFWSU-UHFFFAOYSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-benzyl-2H-furan-5-one
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(2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one
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6-tridecylcyclohexa-2,4-dien-1-one
CID 141201662
[benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene
CID 153280955
3-benzyl-1H-pyridine-2,4-dione
CID 70180981
(6R)-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-one
CID 175981708
(5-methylidenecyclopent-2-en-1-yl)methylbenzene
CID 123813408
1-benzyl-5,6-dimethyl-1H-indene
CID 156638082
4-benzyl-4H-isoquinolin-1-one
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(2,3,4-trimethylcyclobutyl)methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 6-benzylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-benzylcyclohexa-2,4-dien-1-one (CID 14833665) is 6-benzylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-benzylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-benzylcyclohexa-2,4-dien-1-one is O=C1C=CC=CC1Cc1ccccc1.
What is the InChIKey of 6-benzylcyclohexa-2,4-dien-1-one?
The InChIKey is RLVUACSSHRFWSU-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/h1-9,12H,10H2.
What are the key properties of 6-benzylcyclohexa-2,4-dien-1-one?
6-benzylcyclohexa-2,4-dien-1-one has a molecular weight of 184.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 14833665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).