1-(4'-Methoxy(1,1'-biphenyl)-4-yl)ethanone

HCID 301557
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Basic information

CAS
13021-18-6
Standard SMILES
COc1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIKey
AITDOOYSOAAUPM-UHFFFAOYSA-N
Molecular formula
C15H14O2
Average molar mass
226.27 g/mol
Monoisotopic mass
226.09937969

Names & identifiers

Preferred name
1-(4'-Methoxy(1,1'-biphenyl)-4-yl)ethanone
IUPAC
1-[4-(4-methoxyphenyl)phenyl]ethanone
English name
1-(4'-Methoxy-biphenyl-4-yl)-ethanone
Molecular formula
C15H14O2
Molecular weight
226.27

Names & synonyms

13021-18-61-(4'-methoxy[1,1'-biphenyl]-4-yl)ethanone1-(4'-Methoxy(1,1'-biphenyl)-4-yl)ethanoneRefChem:10542271-(4'-methoxy-biphenyl-4-yl)-ethanone1-(4'-Methoxy-[1,1'-biphenyl]-4-yl)ethanone1-[4-(4-methoxyphenyl)phenyl]ethanone4-acetyl-4'-methoxybiphenylEthanone, 1-(4'-methoxy[1,1'-biphenyl]-4-yl)-1-(4'-methoxy-[1,1'-biphenyl]-4-yl)ethan-1-oneMFCD004388681-{4'-methoxy-[1,1'-biphenyl]-4-yl}ethan-1-one
Show more names
4-(4-Acetylphenyl)-anisole1-(4'-Methoxy-?,1'-biphenyl]-4-yl)ethan-1-one
Ethanone,1-(4'-methoxy[1,1'-biphenyl]-4-yl)-NSC1794201-(4'-methoxy-biphenyl-4-yl)ethanone1-(4'-Methoxybiphenyl-4-yl)ethan-1-oneCambridge id 51137724'-acetyl-4-methoxybiphenyl4'-methoxy-4-acetylbiphenylAKOS BAR-0216

Database identifiers

CAS
13021-18-6
PubChem CID
301557
DTXSID
DTXSID20306718
ChEMBL
CHEMBL261576
Nikkaji
J770.056C

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
17

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Melting point
153 · 153-154 °C
Boiling point
362.8 · 362.8±25.0 °C(Predicted)
Density
1.076 · 1.076±0.06 g/cm3(Predicted)
Symbol(GHS)
9 · GHS09
Hazard statements
411 · H411
Precautionary statements
273 · P273-P391-P501

Safety & regulation

Safety data

hs_code
2902900000
Symbol(GHS)
GHS09
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H411
Precautionary statements
P273-P391-P501

Chemistry & industry

Upstream & downstream products

Suppliers11 total

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
上海任跃化学科技有限公司021-62219190; 18321139117 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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