4-(benzyloxy)-2,3-dihydro-1H-inden-1-one

HCID 13616192
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Basic information

CAS
86045-82-1
Standard SMILES
O=C1CCc2c(OCc3ccccc3)cccc21
InChIKey
SHWDWAGEQXIWRK-UHFFFAOYSA-N
Molecular formula
C16H14O2
Average molar mass
238.28 g/mol
Monoisotopic mass
238.09937969

Names & identifiers

Preferred name
4-(benzyloxy)-2,3-dihydro-1H-inden-1-one
IUPAC
4-phenylmethoxy-2,3-dihydroinden-1-one
English name
4-(benzyloxy)-2,3-dihydroinden-1-one
Molecular formula
C16H14O2
Molecular weight
238.28

Names & synonyms

4-(benzyloxy)-2,3-dihydro-1H-inden-1-one86045-82-14-phenylmethoxy-2,3-dihydroinden-1-one4-(BENZYLOXY)-2,3-DIHYDROINDEN-1-ONE4-(phenylmethoxy)-1-indanoneSCHEMBL3629080DTXSID40545102SHWDWAGEQXIWRK-UHFFFAOYSA-NLDA04582AKOS0091009134-benzyloxy-2,3-dihydro-1H-inden-1-oneDB-339815
Show more names
1H-Inden-1-one, 2,3-dihydro-4-(phenylmethoxy)-(S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CS-0258815EN300-71483G26699Z215496004

Database identifiers

CAS
86045-82-1
PubChem CID
13616192
DTXSID
DTXSID40545102
Nikkaji
J1.489.854I

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
18

Physicochemical properties

Boiling point
416.5 · 416.5±34.0 °C(Predicted)
Density
1.193 · 1.193±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C

Chemistry & industry

Upstream & downstream products

Suppliers4 total

宁波亿诺化学品有限公司86-574-27787657 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
武汉千恒瑞泰生物医药科技有限公司15610156652 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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