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2-Methoxy-4'-methyl-1,1'-biphenyl

HCID 10313541
NotesReactions

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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
92495-53-9
Standard SMILES
COc1ccccc1-c1ccc(C)cc1
InChIKey
PNWKXOLTCMKUJZ-UHFFFAOYSA-N
Molecular formula
C14H14O
Average molar mass
198.26 g/mol
Monoisotopic mass
198.10446507

Names & identifiers

Preferred name
2-Methoxy-4'-methyl-1,1'-biphenyl
IUPAC
1-methoxy-2-(4-methylphenyl)benzene
English name
1,1'-Biphenyl, 2-methoxy-4'-methyl-
Molecular formula
C14H14O
Molecular weight
198.26

Names & synonyms

2-Methoxy-4'-methyl-1,1'-biphenyl92495-53-9DTXSID20438008RefChem:262521DTXCID603888312-(4-methylphenyl)anisole2-methoxy-4'-methylbiphenyl2-methoxy-4'-methyl biphenylSCHEMBL1229260SCHEMBL4425113SCHEMBL8089505SCHEMBL8089506
Show more names
1,1'-Biphenyl, 2-methoxy-4'-methyl-
SCHEMBL9151380SCHEMBL15064184PNWKXOLTCMKUJZ-UHFFFAOYSA-NAKOS004115003

Database identifiers

CAS
92495-53-9
PubChem CID
10313541
DTXSID
DTXSID20438008
Nikkaji
J622.168H

Properties

Computed structural propertiesFilling in

XLogP
4.4
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
182

Physicochemical properties

Melting point
83 °C · 83 °C
Boiling point
282.1 · 282.1±9.0 °C(Predicted)
Density
1.016 · 1.016±0.06 g/cm3(Predicted)

Chemistry & industry

Suppliers1 total

山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]

Related reactions

15 records
New reaction record
HRID 169314 reaction equation
HRID 169314As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 227876 reaction equation
HRID 227876As productuspto-grants-2009_07
HRID 299917 reaction equation
HRID 299917As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 382111 reaction equation
HRID 382111As productuspto-grants-2001_10
HRID 458511 reaction equation
HRID 458511As productuspto-grants-2007_03
HRID 458512 reaction equation
HRID 458512As reactantuspto-grants-2007_03
HRID 496945 reaction equation
HRID 496945As productuspto-grants-2005_09
HRID 1246591 reaction equation
HRID 1246591As productuspto-grants-2006_10
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Compound notes

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