1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone

C15H16O — CID 145337056

IUPAC1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone
SMILESCC1=CCCC=C1C(=O)Cc1ccccc1
InChIInChI=1S/C15H16O/c1-12-7-5-6-10-14(12)15(16)11-13-8-3-2-4-9-13/h2-4,7-10H,5-6,11H2,1H3
InChIKeyFYCSZEFLHIKJDG-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.46
Rot. Bonds3

About 1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone

1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone (PubChem CID 145337056) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone
PubChem CID145337056
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone
SMILESCC1=CCCC=C1C(=O)Cc1ccccc1
InChIInChI=1S/C15H16O/c1-12-7-5-6-10-14(12)15(16)11-13-8-3-2-4-9-13/h2-4,7-10H,5-6,11H2,1H3
InChIKeyFYCSZEFLHIKJDG-UHFFFAOYSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-benzylpent-3-en-2-one
CID 10821122
bis((Z)-2-benzyl-3-oxobut-1-en-1-olate);nickel(2+)
CID 2750417
1-(5-methylfuran-2-yl)-2-phenylethanone
CID 4610358
benzene;1-phenylpropan-2-one
CID 21430852
ethyl 2-benzyl-3-bromoprop-2-enoate
CID 54485927
iron;tris(1-phenylbutane-2,3-dione)
CID 175715842
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588
1,3-diphenyl(213C)propan-2-one
CID 100945080
3-benzyl-4-methoxy-4-oxobut-2-enoic acid
CID 54199349
1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
CID 107512541
1,2-diphenylethanone;diphenylmethanone
CID 141067729
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone?
The IUPAC name of 1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone (CID 145337056) is 1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone is CC1=CCCC=C1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone?
The InChIKey is FYCSZEFLHIKJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-12-7-5-6-10-14(12)15(16)11-13-8-3-2-4-9-13/h2-4,7-10H,5-6,11H2,1H3.
What are the key properties of 1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone?
1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone has a molecular weight of 212.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone is sourced from PubChem (CID 145337056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).