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

C16H13ClO2 — CID 43297105

IUPAC(3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCC1Cc2cc(C(=O)c3cccc(Cl)c3)ccc2O1
InChIInChI=1S/C16H13ClO2/c1-10-7-13-8-12(5-6-15(13)19-10)16(18)11-3-2-4-14(17)9-11/h2-6,8-10H,7H2,1H3
InChIKeyRGBTXYXLLUNPES-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.89
Rot. Bonds2

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

(3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 43297105) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID43297105
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name(3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCC1Cc2cc(C(=O)c3cccc(Cl)c3)ccc2O1
InChIInChI=1S/C16H13ClO2/c1-10-7-13-8-12(5-6-15(13)19-10)16(18)11-3-2-4-14(17)9-11/h2-6,8-10H,7H2,1H3
InChIKeyRGBTXYXLLUNPES-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297098
(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297054
2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid
CID 43297113
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 43297079
(4-bromo-3-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 63491672
2-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 43297026
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101051
(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 65454365
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone
CID 43463835
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476480
(2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297091

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone (CID 43297105) is (3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone is CC1Cc2cc(C(=O)c3cccc(Cl)c3)ccc2O1.
What is the InChIKey of (3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is RGBTXYXLLUNPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-10-7-13-8-12(5-6-15(13)19-10)16(18)11-3-2-4-14(17)9-11/h2-6,8-10H,7H2,1H3.
What are the key properties of (3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
(3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 272.73 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 43297105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).