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

C16H19ClO2 — CID 113425372

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone
SMILESO=C(c1cc(Cl)cc2c1OCC2)C1CCCCCC1
InChIInChI=1S/C16H19ClO2/c17-13-9-12-7-8-19-16(12)14(10-13)15(18)11-5-3-1-2-4-6-11/h9-11H,1-8H2
InChIKeySWLYSMHVMLIVOL-UHFFFAOYSA-N
MW278.78 g/mol
LogP4.43
Rot. Bonds2

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

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone (PubChem CID 113425372) has the molecular formula C16H19ClO2 and a molecular weight of 278.78 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone
PubChem CID113425372
Molecular FormulaC16H19ClO2
Molecular Weight278.78 g/mol
Exact Mass278.11
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone
SMILESO=C(c1cc(Cl)cc2c1OCC2)C1CCCCCC1
InChIInChI=1S/C16H19ClO2/c17-13-9-12-7-8-19-16(12)14(10-13)15(18)11-5-3-1-2-4-6-11/h9-11H,1-8H2
InChIKeySWLYSMHVMLIVOL-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone
CID 104545052
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone
CID 104544537
5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran
CID 141158967
1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone
CID 10560433
4-chloro-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)butan-1-one
CID 105400931
cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone
CID 146009541
(2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 104544267
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone
CID 104544697
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone
CID 104541332
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cycloheptylmethanone
CID 62587037
2-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-oxoethoxy]acetic acid
CID 104545039
N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide
CID 167789826

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone (CID 113425372) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone is O=C(c1cc(Cl)cc2c1OCC2)C1CCCCCC1.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone?
The InChIKey is SWLYSMHVMLIVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO2/c17-13-9-12-7-8-19-16(12)14(10-13)15(18)11-5-3-1-2-4-6-11/h9-11H,1-8H2.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone has a molecular weight of 278.78 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone is sourced from PubChem (CID 113425372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).