2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone

C16H20O3 — CID 103450262

IUPAC2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone
SMILESO=C(c1cccc2c1OCC2)C1(O)CCCCCC1
InChIInChI=1S/C16H20O3/c17-15(16(18)9-3-1-2-4-10-16)13-7-5-6-12-8-11-19-14(12)13/h5-7,18H,1-4,8-11H2
InChIKeyOSLAANQFCUMMKG-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.89
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone

2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone (PubChem CID 103450262) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone
PubChem CID103450262
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone
SMILESO=C(c1cccc2c1OCC2)C1(O)CCCCCC1
InChIInChI=1S/C16H20O3/c17-15(16(18)9-3-1-2-4-10-16)13-7-5-6-12-8-11-19-14(12)13/h5-7,18H,1-4,8-11H2
InChIKeyOSLAANQFCUMMKG-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114748039
(4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114748063
2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone
CID 114747925
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 114748033
1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114747898
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
(3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114215473
(E)-1-(2,3-dihydro-1-benzofuran-7-yl)but-2-en-1-one
CID 103453398
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone (CID 103450262) is 2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone is O=C(c1cccc2c1OCC2)C1(O)CCCCCC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone?
The InChIKey is OSLAANQFCUMMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c17-15(16(18)9-3-1-2-4-10-16)13-7-5-6-12-8-11-19-14(12)13/h5-7,18H,1-4,8-11H2.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone?
2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone has a molecular weight of 260.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone is sourced from PubChem (CID 103450262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).