(6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one

C16H16O — CID 155667050

IUPAC(6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one
SMILESCc1ccc(/C=C/C=C2\CCC=CC2=O)cc1
InChIInChI=1S/C16H16O/c1-13-9-11-14(12-10-13)5-4-7-15-6-2-3-8-16(15)17/h3-5,7-12H,2,6H2,1H3/b5-4+,15-7+
InChIKeyGHYXUBGAOOQHHD-POBXOWJZSA-N
MW224.30 g/mol
LogP3.85
Rot. Bonds2

About (6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one

(6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one (PubChem CID 155667050) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one
PubChem CID155667050
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one
SMILESCc1ccc(/C=C/C=C2\CCC=CC2=O)cc1
InChIInChI=1S/C16H16O/c1-13-9-11-14(12-10-13)5-4-7-15-6-2-3-8-16(15)17/h3-5,7-12H,2,6H2,1H3/b5-4+,15-7+
InChIKeyGHYXUBGAOOQHHD-POBXOWJZSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one?
The IUPAC name of (6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one (CID 155667050) is (6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one.
What is the SMILES notation for (6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one?
The canonical SMILES for (6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one is Cc1ccc(/C=C/C=C2\CCC=CC2=O)cc1.
What is the InChIKey of (6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one?
The InChIKey is GHYXUBGAOOQHHD-POBXOWJZSA-N. The full InChI is InChI=1S/C16H16O/c1-13-9-11-14(12-10-13)5-4-7-15-6-2-3-8-16(15)17/h3-5,7-12H,2,6H2,1H3/b5-4+,15-7+.
What are the key properties of (6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one?
(6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one has a molecular weight of 224.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclohex-2-en-1-one is sourced from PubChem (CID 155667050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).