(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone

C16H10Cl2O2 — CID 115807979

IUPAC(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)c3cccc(Cl)c3Cl)cc2c1
InChIInChI=1S/C16H10Cl2O2/c1-9-5-6-13-10(7-9)8-14(20-13)16(19)11-3-2-4-12(17)15(11)18/h2-8H,1H3
InChIKeyUQELLVVYMBWICC-UHFFFAOYSA-N
MW305.16 g/mol
LogP5.28
Rot. Bonds2

About (2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone

(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 115807979) has the molecular formula C16H10Cl2O2 and a molecular weight of 305.16 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID115807979
Molecular FormulaC16H10Cl2O2
Molecular Weight305.16 g/mol
Exact Mass304.01
IUPAC Name(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)c3cccc(Cl)c3Cl)cc2c1
InChIInChI=1S/C16H10Cl2O2/c1-9-5-6-13-10(7-9)8-14(20-13)16(19)11-3-2-4-12(17)15(11)18/h2-8H,1H3
InChIKeyUQELLVVYMBWICC-UHFFFAOYSA-N
XLogP5.28
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.16
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808186
(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 106691307
(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808561
N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide
CID 62084978
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
methyl 3-(5-methyl-1-benzofuran-2-carbonyl)azulene-1-carboxylate
CID 10882473
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105084721
1-(5-methyl-1-benzofuran-2-yl)prop-2-yn-1-one
CID 105108138
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105130630
(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105130288
(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725880

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone (CID 115807979) is (2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2oc(C(=O)c3cccc(Cl)c3Cl)cc2c1.
What is the InChIKey of (2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is UQELLVVYMBWICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O2/c1-9-5-6-13-10(7-9)8-14(20-13)16(19)11-3-2-4-12(17)15(11)18/h2-8H,1H3.
What are the key properties of (2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 305.16 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115807979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).