2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone

C15H16O2 — CID 114821172

IUPAC2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(C)c(C)c2)co1
InChIInChI=1S/C15H16O2/c1-10-4-5-13(6-11(10)2)8-15(16)14-7-12(3)17-9-14/h4-7,9H,8H2,1-3H3
InChIKeyFTNASUCBTDSNLH-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.63
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone

2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone (PubChem CID 114821172) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
PubChem CID114821172
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(C)c(C)c2)co1
InChIInChI=1S/C15H16O2/c1-10-4-5-13(6-11(10)2)8-15(16)14-7-12(3)17-9-14/h4-7,9H,8H2,1-3H3
InChIKeyFTNASUCBTDSNLH-UHFFFAOYSA-N
XLogP3.63
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 105412231
2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299275
2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821159
2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone
CID 63491622
1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 104853112
2-(3,4-dimethylphenyl)-1-(4-propoxyphenyl)ethanone
CID 63410446
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63019334
1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 106687696
2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490239
1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63943802
2-(3,4-dimethylphenyl)-1-(5-ethylthiophen-2-yl)ethanone
CID 55196964
1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 114821426

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone (CID 114821172) is 2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone is Cc1cc(C(=O)Cc2ccc(C)c(C)c2)co1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone?
The InChIKey is FTNASUCBTDSNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-4-5-13(6-11(10)2)8-15(16)14-7-12(3)17-9-14/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone?
2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone is sourced from PubChem (CID 114821172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).