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

C14H15ClO3 — CID 104544537

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone
SMILESO=C(c1cc(Cl)cc2c1OCC2)C1CCCCO1
InChIInChI=1S/C14H15ClO3/c15-10-7-9-4-6-18-14(9)11(8-10)13(16)12-3-1-2-5-17-12/h7-8,12H,1-6H2
InChIKeySIFLTHDWPYDEQF-UHFFFAOYSA-N
MW266.72 g/mol
LogP3.03
Rot. Bonds2

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

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone (PubChem CID 104544537) has the molecular formula C14H15ClO3 and a molecular weight of 266.72 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone
PubChem CID104544537
Molecular FormulaC14H15ClO3
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone
SMILESO=C(c1cc(Cl)cc2c1OCC2)C1CCCCO1
InChIInChI=1S/C14H15ClO3/c15-10-7-9-4-6-18-14(9)11(8-10)13(16)12-3-1-2-5-17-12/h7-8,12H,1-6H2
InChIKeySIFLTHDWPYDEQF-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone
CID 113425372
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone
CID 104545052
4-chloro-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)butan-1-one
CID 105400931
1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone
CID 10560433
2-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-oxoethoxy]acetic acid
CID 104545039
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol
CID 115830818
7-[bromo(oxan-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104543959
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine
CID 113425437
5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran
CID 141158967
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone
CID 103219837
(4-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 104544276
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylphenyl)ethanone
CID 104544807

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone (CID 104544537) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone is O=C(c1cc(Cl)cc2c1OCC2)C1CCCCO1.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone?
The InChIKey is SIFLTHDWPYDEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3/c15-10-7-9-4-6-18-14(9)11(8-10)13(16)12-3-1-2-5-17-12/h7-8,12H,1-6H2.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone has a molecular weight of 266.72 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone is sourced from PubChem (CID 104544537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).