(4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one

C17H16O3 — CID 5358628

IUPAC(4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one
SMILESCOC1=C/C(=C\C=Cc2ccccc2)C(OC)=CC1=O
InChIInChI=1S/C17H16O3/c1-19-16-12-15(18)17(20-2)11-14(16)10-6-9-13-7-4-3-5-8-13/h3-12H,1-2H3/b9-6?,14-10+
InChIKeyZDVSZFUPSXRHKO-IVSLRHLKSA-N
MW268.31 g/mol
LogP3.27
Rot. Bonds4

About (4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one

(4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one (PubChem CID 5358628) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one
PubChem CID5358628
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one
SMILESCOC1=C/C(=C\C=Cc2ccccc2)C(OC)=CC1=O
InChIInChI=1S/C17H16O3/c1-19-16-12-15(18)17(20-2)11-14(16)10-6-9-13-7-4-3-5-8-13/h3-12H,1-2H3/b9-6?,14-10+
InChIKeyZDVSZFUPSXRHKO-IVSLRHLKSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one
CID 5358629
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
4-hydroxy-2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-1-one
CID 24761040
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-cinnamylidene-1H-pyrazol-5-one
CID 88840693
2,5-dimethoxy-3-[3-[(Z)-2-phenylethenyl]phenyl]cyclohexa-2,5-diene-1,4-dione
CID 56600039
5-cinnamylideneimidazolidine-2,4-dione
CID 965914
(2Z,5E)-2,5-bis[(Z)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 42545090
2,5-dicinnamylidenecyclopentan-1-one
CID 2806566
4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one
CID 14226957
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219

Frequently Asked Questions

What is the IUPAC name of (4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one?
The IUPAC name of (4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one (CID 5358628) is (4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one?
The canonical SMILES for (4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one is COC1=C/C(=C\C=Cc2ccccc2)C(OC)=CC1=O.
What is the InChIKey of (4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one?
The InChIKey is ZDVSZFUPSXRHKO-IVSLRHLKSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-16-12-15(18)17(20-2)11-14(16)10-6-9-13-7-4-3-5-8-13/h3-12H,1-2H3/b9-6?,14-10+.
What are the key properties of (4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one?
(4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one has a molecular weight of 268.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one is sourced from PubChem (CID 5358628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).