1-(4,4-Dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one

HCID 13478160CAS 88579-19-5

Basic information

Standard SMILES
CC(=O)c1ccc2c(c1)C(C)(C)CCO2
InChIKey
APBGIHIRYOFIJA-UHFFFAOYSA-N
Molecular formula
C13H16O2
Average molar mass
204.26 g/mol
Monoisotopic mass
204.11502975

Names & identifiers

Preferred name
1-(4,4-Dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one
IUPAC
1-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanone

Names & synonyms

88579-19-51-(4,4-Dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-oneDTXSID30541794RefChem:224621DTXCID804925804,4-dimethyl-6-acetylchromane1-(4,4-dimethylchroman-6-yl)ethanone6-acetyl-4,4-dimethylchroman4,4-Dimethyl-6-acetylchromanSCHEMBL22406834,4-dimethyl-6-acetyl chromanAPBGIHIRYOFIJA-UHFFFAOYSA-N
Show more names
DB-339904

Database identifiers

CAS
88579-19-5
PubChem CID
13478160
DTXSID
DTXSID30541794
Nikkaji
J554.257J

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15

Related reactions

35 records

Linked notes

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