(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone

C17H13ClO2 — CID 115810708

IUPAC(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc3cccc(Cl)c3o2)c1C
InChIInChI=1S/C17H13ClO2/c1-10-5-3-7-13(11(10)2)16(19)15-9-12-6-4-8-14(18)17(12)20-15/h3-9H,1-2H3
InChIKeyCBKUHNBMFYBYGK-UHFFFAOYSA-N
MW284.74 g/mol
LogP4.93
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone

(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone (PubChem CID 115810708) has the molecular formula C17H13ClO2 and a molecular weight of 284.74 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
PubChem CID115810708
Molecular FormulaC17H13ClO2
Molecular Weight284.74 g/mol
Exact Mass284.06
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc3cccc(Cl)c3o2)c1C
InChIInChI=1S/C17H13ClO2/c1-10-5-3-7-13(11(10)2)16(19)15-9-12-6-4-8-14(18)17(12)20-15/h3-9H,1-2H3
InChIKeyCBKUHNBMFYBYGK-UHFFFAOYSA-N
XLogP4.93
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
(7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726090
(5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 106690970
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891
(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114737213
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone
CID 115810736
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810821

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone (CID 115810708) is (7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone is Cc1cccc(C(=O)c2cc3cccc(Cl)c3o2)c1C.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone?
The InChIKey is CBKUHNBMFYBYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO2/c1-10-5-3-7-13(11(10)2)16(19)15-9-12-6-4-8-14(18)17(12)20-15/h3-9H,1-2H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone?
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone has a molecular weight of 284.74 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 115810708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).