(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

C16H13ClO2 — CID 115814244

IUPAC(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)c1cccc2c1OCC2
InChIInChI=1S/C16H13ClO2/c1-10-5-6-12(17)9-14(10)15(18)13-4-2-3-11-7-8-19-16(11)13/h2-6,9H,7-8H2,1H3
InChIKeyZXQIKSLQZZTWIK-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.81
Rot. Bonds2

About (5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 115814244) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID115814244
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)c1cccc2c1OCC2
InChIInChI=1S/C16H13ClO2/c1-10-5-6-12(17)9-14(10)15(18)13-4-2-3-11-7-8-19-16(11)13/h2-6,9H,7-8H2,1H3
InChIKeyZXQIKSLQZZTWIK-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811210
(2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114025606
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran
CID 173176078
(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096
2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
CID 115814389
2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone
CID 114744044
(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107996809
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chloro-2-methylphenyl)ethanone
CID 115796449
(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814281
2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
CID 115814343
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (CID 115814244) is (5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is Cc1ccc(Cl)cc1C(=O)c1cccc2c1OCC2.
What is the InChIKey of (5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is ZXQIKSLQZZTWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-10-5-6-12(17)9-14(10)15(18)13-4-2-3-11-7-8-19-16(11)13/h2-6,9H,7-8H2,1H3.
What are the key properties of (5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 272.73 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 115814244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).