3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether

HCID 3067183CAS 80853-81-2

Basic information

Standard SMILES
CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1Cl
InChIKey
PLGYQISBTYZBSZ-UHFFFAOYSA-N
Molecular formula
C25H27ClO3
Average molar mass
410.9 g/mol
Monoisotopic mass
410.1648724

Names & identifiers

Preferred name
3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether
IUPAC
2-chloro-1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
English name
Benzene, 1-((2-(3-chloro-4-ethoxyphenyl)-2-methylpropoxy)methyl)-3-phe noxy-
Molecular formula
C25H27ClO3
Molecular weight
410.93

Names & synonyms

80853-81-2RefChem:10675863-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether3-Phenoxybenzyl 2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl ether1-((2-(3-Chloro-4-ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxybenzeneBenzene, 1-((2-(3-chloro-4-ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy-SCHEMBL9339595PLGYQISBTYZBSZ-UHFFFAOYSA-NDTXSID7010015752-Chloro-1-ethoxy-4-{2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl}benzene4-ethoxy-3-chloroneophyl m-phenoxybenzyl etherBenzene, 1-((2-(3-chloro-4-ethoxyphenyl)-2-methylpropoxy)methyl)-3-phe noxy-

Database identifiers

CAS
80853-81-2
PubChem CID
3067183
DTXSID
DTXSID701001575
Nikkaji
J135.052H

Properties

Computed structural properties

XLogP
7.7
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
9
Heavy atoms
29

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

11 records

Linked notes

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