cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone

C17H20O2 — CID 106651928

IUPACcyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone
SMILESO=C(C1=CCCCCC1)C1COc2ccccc2C1
InChIInChI=1S/C17H20O2/c18-17(13-7-3-1-2-4-8-13)15-11-14-9-5-6-10-16(14)19-12-15/h5-7,9-10,15H,1-4,8,11-12H2
InChIKeyAPDHXLRBQQLOMV-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.70
Rot. Bonds2

About cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone

cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone (PubChem CID 106651928) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone
PubChem CID106651928
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Namecyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone
SMILESO=C(C1=CCCCCC1)C1COc2ccccc2C1
InChIInChI=1S/C17H20O2/c18-17(13-7-3-1-2-4-8-13)15-11-14-9-5-6-10-16(14)19-12-15/h5-7,9-10,15H,1-4,8,11-12H2
InChIKeyAPDHXLRBQQLOMV-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone?
The IUPAC name of cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone (CID 106651928) is cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone?
The canonical SMILES for cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone is O=C(C1=CCCCCC1)C1COc2ccccc2C1.
What is the InChIKey of cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone?
The InChIKey is APDHXLRBQQLOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-17(13-7-3-1-2-4-8-13)15-11-14-9-5-6-10-16(14)19-12-15/h5-7,9-10,15H,1-4,8,11-12H2.
What are the key properties of cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone?
cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone has a molecular weight of 256.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone is sourced from PubChem (CID 106651928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).