4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one

C14H12O — CID 67648697

IUPAC4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(C=Cc2ccccc2)=CC1
InChIInChI=1S/C14H12O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyQCSIIKZULREDHT-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.16
Rot. Bonds2

About 4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one

4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one (PubChem CID 67648697) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one
PubChem CID67648697
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(C=Cc2ccccc2)=CC1
InChIInChI=1S/C14H12O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyQCSIIKZULREDHT-UHFFFAOYSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene
CID 102473410
4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 143367130
5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene
CID 152771326
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene
CID 154438917
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-amine
CID 57353442
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
CID 70055728
disodium;hydride;(E)-stilbene
CID 173089328
hydride;rubidium(1+);stilbene
CID 173437843
[4-(2-phenylethenyl)-1-prop-2-enoyloxycyclohexa-2,4-dien-1-yl] prop-2-enoate
CID 70209671
pyrrolidine-2,5-dione;stilbene
CID 70488570

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one (CID 67648697) is 4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one is O=C1C=CC(C=Cc2ccccc2)=CC1.
What is the InChIKey of 4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one?
The InChIKey is QCSIIKZULREDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one?
4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one has a molecular weight of 196.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 67648697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).