4,4'-Dimethoxybibenzyl

HCID 74261CAS 1657-55-2

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Basic information

Standard SMILES: COc1ccc(CCc2ccc(OC)cc2)cc1
InChIKey: YPJNONWWTLUVEF-UHFFFAOYSA-N
Molecular formula: C16H18O2
Average molar mass: 242.31 g/mol
Monoisotopic mass: 242.13067981

Names & identifiers

Preferred name: 4,4'-Dimethoxybibenzyl
IUPAC: 1-methoxy-4-[2-(4-methoxyphenyl)ethyl]benzene
English name: 4,4'-Ethylenedianisole
Molecular formula: C16H18O2
Molecular weight: 242.31

Names & synonyms

4,4'-Dimethoxybibenzyl1-Methoxy-4-[2-(4-methoxyphenyl)ethyl]benzene1,2-Bis(p-methoxyphenyl)ethane4,4'-Dimethoxydibenzyl4,4'-DimethoxydiphenylethaneBibenzyl, 4,4'-dimethoxy-Benzene, 1,1'-(1,2-ethanediyl)bis(4-methoxy-DTXSID00168013Ethane, 1,2-bis(p-methoxyphenyl)-NSC 75578BENZENE, 1,1'-(1,2-ETHANEDIYL)BIS[4-METHOXY-1-Methoxy-4-(2-(4-methoxyphenyl)ethyl)benzene

Show more names

1,1'-Ethylenebis(p-methoxybenzene)1,1'-Ethylenebis(4-methoxybenzene)4,4'-Ethylenebis(1-methoxybenzene)

RefChem:284609DTXCID4090504YPJNONWWTLUVEF-UHFFFAOYSA-N1657-55-21,2-bis(4-methoxyphenyl)ethane4,4'-Ethylenedianisole4,4/'-EthylenedianisoleCHEMBL262115

Database identifiers

CAS: 1657-55-2
PubChem CID: 74261
DTXSID: DTXSID00168013
ChEMBL: CHEMBL262115
EC Number: 105-206-5
Nikkaji: J103.046I

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 189

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.