(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone

C18H15FO2 — CID 112723127

IUPAC(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2oc3ccc(F)cc3c2C)cc1C
InChIInChI=1S/C18H15FO2/c1-10-4-5-13(8-11(10)2)17(20)18-12(3)15-9-14(19)6-7-16(15)21-18/h4-9H,1-3H3
InChIKeyQOJUADPKQWEFRT-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.73
Rot. Bonds2

About (3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone

(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 112723127) has the molecular formula C18H15FO2 and a molecular weight of 282.31 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID112723127
Molecular FormulaC18H15FO2
Molecular Weight282.31 g/mol
Exact Mass282.11
IUPAC Name(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2oc3ccc(F)cc3c2C)cc1C
InChIInChI=1S/C18H15FO2/c1-10-4-5-13(8-11(10)2)17(20)18-12(3)15-9-14(19)6-7-16(15)21-18/h4-9H,1-3H3
InChIKeyQOJUADPKQWEFRT-UHFFFAOYSA-N
XLogP4.73
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606798
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 105122775
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 79003791
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-one
CID 105112935
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 63549321
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 112723138
(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 78907025
(3-bromo-4-fluorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
CID 63545779
(4-methoxycarbonylphenyl) 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 18280346
2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 110828689
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093299

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone (CID 112723127) is (3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone is Cc1ccc(C(=O)c2oc3ccc(F)cc3c2C)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is QOJUADPKQWEFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO2/c1-10-4-5-13(8-11(10)2)17(20)18-12(3)15-9-14(19)6-7-16(15)21-18/h4-9H,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 282.31 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 112723127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).