bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone

C23H26O — CID 54475373

IUPACbis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone
SMILESC=C(C)c1ccc(C(=O)c2ccc(C(=C)C)cc2CC)c(CC)c1
InChIInChI=1S/C23H26O/c1-7-17-13-19(15(3)4)9-11-21(17)23(24)22-12-10-20(16(5)6)14-18(22)8-2/h9-14H,3,5,7-8H2,1-2,4,6H3
InChIKeyXLESZXTWHZEDPM-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.11
Rot. Bonds6

About bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone

bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone (PubChem CID 54475373) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone.

Molecular Properties

Compound Namebis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone
PubChem CID54475373
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Namebis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone
SMILESC=C(C)c1ccc(C(=O)c2ccc(C(=C)C)cc2CC)c(CC)c1
InChIInChI=1S/C23H26O/c1-7-17-13-19(15(3)4)9-11-21(17)23(24)22-12-10-20(16(5)6)14-18(22)8-2/h9-14H,3,5,7-8H2,1-2,4,6H3
InChIKeyXLESZXTWHZEDPM-UHFFFAOYSA-N
XLogP6.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone
CID 162722129
2-methyl-4-prop-1-en-2-ylbenzoic acid
CID 130288134
2-ethylbenzene-1,4-dicarbonyl chloride
CID 19915511
2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene
CID 70232732
1,2,4-tris(prop-1-en-2-yl)benzene
CID 11194966
1-(5-hydroxy-2-prop-1-en-2-ylphenyl)propan-2-one
CID 89164195
2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone
CID 144809262
methyl 4-(1-ethoxyethenyl)-3-ethylbenzoate
CID 134387928
1-(4-chloro-3-ethylphenyl)-2-methylprop-2-en-1-one
CID 130136666
2-(iodomethyl)-4-prop-1-en-2-ylphenol
CID 54302731
bis[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]methanone
CID 139631724
(2-bromo-5-prop-1-en-2-ylphenyl)methanol
CID 175563354

Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone?
The IUPAC name of bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone (CID 54475373) is bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone.
What is the SMILES notation for bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone?
The canonical SMILES for bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone is C=C(C)c1ccc(C(=O)c2ccc(C(=C)C)cc2CC)c(CC)c1.
What is the InChIKey of bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone?
The InChIKey is XLESZXTWHZEDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-7-17-13-19(15(3)4)9-11-21(17)23(24)22-12-10-20(16(5)6)14-18(22)8-2/h9-14H,3,5,7-8H2,1-2,4,6H3.
What are the key properties of bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone?
bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone has a molecular weight of 318.46 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone is sourced from PubChem (CID 54475373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).