(2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one

C18H18O2 — CID 143326583

IUPAC(2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one
SMILESC=C/C=c1/oc(-c2ccc(CC)c(C)c2)cc(=O)c1=C
InChIInChI=1S/C18H18O2/c1-5-7-17-13(4)16(19)11-18(20-17)15-9-8-14(6-2)12(3)10-15/h5,7-11H,1,4,6H2,2-3H3/b17-7+
InChIKeyXNWQUJHIZFQVCS-REZTVBANSA-N
MW266.34 g/mol
LogP2.55
Rot. Bonds3

About (2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one

(2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one (PubChem CID 143326583) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one.

Molecular Properties

Compound Name(2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one
PubChem CID143326583
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one
SMILESC=C/C=c1/oc(-c2ccc(CC)c(C)c2)cc(=O)c1=C
InChIInChI=1S/C18H18O2/c1-5-7-17-13(4)16(19)11-18(20-17)15-9-8-14(6-2)12(3)10-15/h5,7-11H,1,4,6H2,2-3H3/b17-7+
InChIKeyXNWQUJHIZFQVCS-REZTVBANSA-N
XLogP2.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-4-(4-ethyl-3-methylphenyl)pyridine
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1,4-diethyl-2-methylbenzene;ethane
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4-(4-ethyl-3-methylphenyl)-1-methylpyrazol-5-amine
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2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline
CID 114731830
5-amino-4-(4-ethyl-3-methylphenyl)-2-phenylfuran-3-ol
CID 54276829
1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene
CID 147152105
4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene
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ethane;1-ethyl-4-fluoro-2-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of (2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one?
The IUPAC name of (2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one (CID 143326583) is (2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one.
What is the SMILES notation for (2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one?
The canonical SMILES for (2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one is C=C/C=c1/oc(-c2ccc(CC)c(C)c2)cc(=O)c1=C.
What is the InChIKey of (2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one?
The InChIKey is XNWQUJHIZFQVCS-REZTVBANSA-N. The full InChI is InChI=1S/C18H18O2/c1-5-7-17-13(4)16(19)11-18(20-17)15-9-8-14(6-2)12(3)10-15/h5,7-11H,1,4,6H2,2-3H3/b17-7+.
What are the key properties of (2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one?
(2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one has a molecular weight of 266.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one is sourced from PubChem (CID 143326583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).