(4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone

C15H16O — CID 163691042

IUPAC(4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone
SMILESCCC1=CCC(C(=O)c2ccccc2)C=C1
InChIInChI=1S/C15H16O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h3-10,14H,2,11H2,1H3
InChIKeyJSZCKEFEHPTKLZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.78
Rot. Bonds3

About (4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone

(4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone (PubChem CID 163691042) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone
PubChem CID163691042
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone
SMILESCCC1=CCC(C(=O)c2ccccc2)C=C1
InChIInChI=1S/C15H16O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h3-10,14H,2,11H2,1H3
InChIKeyJSZCKEFEHPTKLZ-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-benzoylcyclohexa-1,5-dien-1-yl)oxyphenyl]-2-methylprop-2-en-1-one
CID 123619830
2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine
CID 145044663
(4S,5R)-4-benzoyl-5-ethylcyclopent-2-en-1-one
CID 11053016
(1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone
CID 71326877
phenyl-(3-phenylcyclopent-2-en-1-yl)methanone
CID 174917838
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
1-phenyl-2,2-bis(trifluoromethyl)butan-1-one
CID 71529526
[(2S,3R)-3-ethyloxiran-2-yl]-phenylmethanone
CID 10866861
[2-(4-ethoxyphenyl)cyclopropyl]-phenylmethanone
CID 14939960
[5-ethyl-6-hydroxy-4-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-phenylmethanone
CID 71047605
ethyl 3-benzoyl-2-oxocyclopentane-1-carboxylate
CID 22897624

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
The IUPAC name of (4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone (CID 163691042) is (4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone.
What is the SMILES notation for (4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
The canonical SMILES for (4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone is CCC1=CCC(C(=O)c2ccccc2)C=C1.
What is the InChIKey of (4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
The InChIKey is JSZCKEFEHPTKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h3-10,14H,2,11H2,1H3.
What are the key properties of (4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
(4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone has a molecular weight of 212.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexa-2,4-dien-1-yl)-phenylmethanone is sourced from PubChem (CID 163691042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).