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Ether, benzyl thymyl

HCID 50547
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
69455-01-2
Standard SMILES
Cc1ccc(C(C)C)c(OCc2ccccc2)c1
InChIKey
CKYBMTWLNJHOLM-UHFFFAOYSA-N
Molecular formula
C17H20O
Average molar mass
240.34 g/mol
Monoisotopic mass
240.15141526

Names & identifiers

Preferred name
Ether, benzyl thymyl
IUPAC
4-methyl-2-phenylmethoxy-1-propan-2-ylbenzene

Names & synonyms

Benzyl thymyl etherETHER, BENZYL THYMYLp-Cymene, 3-(benzyloxy)-69455-01-2BRN 2371734AI3-02470Benzene, 4-methyl-1-(1-methylethyl)-2-(phenylmethoxy)-DTXSID502196204-06-00-03336 (Beilstein Handbook Reference)RefChem:341549DTXCID001421112-(benzyloxy)-4-methyl-1-(propan-2-yl)benzene
Show more names
DB-3758952-(BENZYLOXY)-1-ISOPROPYL-4-METHYLBENZENE

Database identifiers

CAS
69455-01-2
PubChem CID
50547
DTXSID
DTXSID50219620
Nikkaji
J1.471.244E

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
230

Related reactions

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Compound notes

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