1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one

C16H16O3 — CID 44551230

IUPAC1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc(CC(=O)c2ccc(C)cc2)o1
InChIInChI=1S/C16H16O3/c1-11-3-5-13(6-4-11)16(18)10-15-8-7-14(19-15)9-12(2)17/h3-8H,9-10H2,1-2H3
InChIKeyXCBYRWKBOWLXRP-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.14
Rot. Bonds5

About 1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one

1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one (PubChem CID 44551230) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one
PubChem CID44551230
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc(CC(=O)c2ccc(C)cc2)o1
InChIInChI=1S/C16H16O3/c1-11-3-5-13(6-4-11)16(18)10-15-8-7-14(19-15)9-12(2)17/h3-8H,9-10H2,1-2H3
InChIKeyXCBYRWKBOWLXRP-UHFFFAOYSA-N
XLogP3.14
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenyl)-1-(4-methylphenyl)ethanone
CID 2303827
1-(5-chlorofuran-2-yl)propan-2-one
CID 82652120
1,3-bis(5-phenacylfuran-2-yl)propan-2-one
CID 57381075
2-(5-ethylfuran-2-yl)-1-(4-methoxyphenyl)ethanone
CID 154926215
1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one
CID 141057255
1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one
CID 55180156
1-(4-methylphenyl)-2-pyridin-4-ylethanone
CID 11367827
(3S)-1-(4-chlorophenyl)-4,4,4-trifluoro-3-[5-(2-oxopropyl)furan-2-yl]butan-1-one
CID 132582079
2-(4-methylphenyl)-1-(4-nitrophenyl)ethanone
CID 61077720
ethane;3-(5-phenacylfuran-2-yl)propanoic acid
CID 143696693
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
2-bromo-1-(4-methylphenyl)ethanone;ethane;1-(4-methylphenyl)ethanone
CID 143457171

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one?
The IUPAC name of 1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one (CID 44551230) is 1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one?
The canonical SMILES for 1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one is CC(=O)Cc1ccc(CC(=O)c2ccc(C)cc2)o1.
What is the InChIKey of 1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one?
The InChIKey is XCBYRWKBOWLXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-3-5-13(6-4-11)16(18)10-15-8-7-14(19-15)9-12(2)17/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one?
1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one has a molecular weight of 256.30 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one is sourced from PubChem (CID 44551230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).