1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone

C17H16O2 — CID 63019871

IUPAC1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc3c(c2)COC3)c1C
InChIInChI=1S/C17H16O2/c1-11-4-3-5-16(12(11)2)17(18)13-6-7-14-9-19-10-15(14)8-13/h3-8H,9-10H2,1-2H3
InChIKeyLSZSHDGXVRWQSN-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.56
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone

1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone (PubChem CID 63019871) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone
PubChem CID63019871
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc3c(c2)COC3)c1C
InChIInChI=1S/C17H16O2/c1-11-4-3-5-16(12(11)2)17(18)13-6-7-14-9-19-10-15(14)8-13/h3-8H,9-10H2,1-2H3
InChIKeyLSZSHDGXVRWQSN-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone
CID 63021429
(2,3-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 55145593
(3-amino-2-bromophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 113367216
1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone
CID 115608476
5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one
CID 43160594
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920
(2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 82814438
(2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 114970147
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone (CID 63019871) is 1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone is Cc1cccc(C(=O)c2ccc3c(c2)COC3)c1C.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone?
The InChIKey is LSZSHDGXVRWQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11-4-3-5-16(12(11)2)17(18)13-6-7-14-9-19-10-15(14)8-13/h3-8H,9-10H2,1-2H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone?
1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone has a molecular weight of 252.31 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 63019871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).