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

C15H16O2 — CID 62200881

IUPACcyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(C1=CCCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H16O2/c16-15(11-4-2-1-3-5-11)13-6-7-14-12(10-13)8-9-17-14/h4,6-7,10H,1-3,5,8-9H2
InChIKeyKSAPHTKWGPRGEX-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.30
Rot. Bonds2

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

cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 62200881) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID62200881
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Namecyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(C1=CCCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H16O2/c16-15(11-4-2-1-3-5-11)13-6-7-14-12(10-13)8-9-17-14/h4,6-7,10H,1-3,5,8-9H2
InChIKeyKSAPHTKWGPRGEX-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-benzodioxol-5-yl(cyclohepten-1-yl)methanone
CID 114999931
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 106655875
1-(cyclopenten-1-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 103447993
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
cyclohexen-1-yl(naphthalen-2-yl)methanone
CID 62078640
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
(4-amino-3-bromophenyl)-(cyclohepten-1-yl)methanone
CID 106655438
(6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone
CID 115353718

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone (CID 62200881) is cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone is O=C(C1=CCCCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is KSAPHTKWGPRGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c16-15(11-4-2-1-3-5-11)13-6-7-14-12(10-13)8-9-17-14/h4,6-7,10H,1-3,5,8-9H2.
What are the key properties of cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone?
cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 228.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 62200881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).