1-(9,10-Dihydrophenanthren-2-yl)propan-1-one

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Basic information

CAS: 7506-00-5
Standard SMILES: CCC(=O)c1ccc2c(c1)CCc1ccccc1-2
InChIKey: VSHYXKJOCNMIBU-UHFFFAOYSA-N
Molecular formula: C17H16O
Average molar mass: 236.31 g/mol
Monoisotopic mass: 236.12011513

Names & identifiers

Preferred name: 1-(9,10-Dihydrophenanthren-2-yl)propan-1-one
IUPAC: 1-(9,10-dihydrophenanthren-2-yl)propan-1-one
English name: 1-(9,10-dihydrophenanthren-2-yl)propan-1-one
Molecular formula: C17H16O
Molecular weight: 0

Names & synonyms

7506-00-51-(9,10-dihydrophenanthren-2-yl)propan-1-oneNSC402390SCHEMBL5687425DTXSID60322937VSHYXKJOCNMIBU-UHFFFAOYSA-NNSC-4023901-(9,10-dihydrophenanthrene-2-yl)propan-1-one

Database identifiers

CAS: 7506-00-5
PubChem CID: 345100
DTXSID: DTXSID60322937

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 309

Related reactions

4 records

New reaction record

HRID 207097As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 666902As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1830477As productuspto-grants-2006_06

HRID 1830478As reactantuspto-grants-2006_06

Compound notes

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