1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone

C14H13ClO2 — CID 106687696

IUPAC1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccoc2Cl)cc1C
InChIInChI=1S/C14H13ClO2/c1-9-3-4-11(7-10(9)2)8-13(16)12-5-6-17-14(12)15/h3-7H,8H2,1-2H3
InChIKeyZBGIXXPMLSMTJI-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.98
Rot. Bonds3

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

1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 106687696) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID106687696
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccoc2Cl)cc1C
InChIInChI=1S/C14H13ClO2/c1-9-3-4-11(7-10(9)2)8-13(16)12-5-6-17-14(12)15/h3-7H,8H2,1-2H3
InChIKeyZBGIXXPMLSMTJI-UHFFFAOYSA-N
XLogP3.98
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorofuran-3-yl)-2-(3,5-dimethylphenyl)ethanone
CID 106690860
1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone
CID 106691035
1-(2-chlorofuran-3-yl)-2-(4-chlorophenyl)ethanone
CID 106687672
1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone
CID 106687670
1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone
CID 106687666
1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63943802
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 63527693
1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 64714143
1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone
CID 165037086
2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821172
2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105083488
(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 106691062

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone (CID 106687696) is 1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)c2ccoc2Cl)cc1C.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is ZBGIXXPMLSMTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-9-3-4-11(7-10(9)2)8-13(16)12-5-6-17-14(12)15/h3-7H,8H2,1-2H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone?
1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 248.71 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 106687696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).