methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate

C28H24O4 — CID 139707056

IUPACmethyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate
SMILESCOC(=O)COc1cccc(OCc2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C28H24O4/c1-30-28(29)20-32-27-14-8-13-26(18-27)31-19-21-15-24(22-9-4-2-5-10-22)17-25(16-21)23-11-6-3-7-12-23/h2-18H,19-20H2,1H3
InChIKeyUZYMWTVFMADBDV-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.15
Rot. Bonds8

About methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate

methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate (PubChem CID 139707056) has the molecular formula C28H24O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate
PubChem CID139707056
Molecular FormulaC28H24O4
Molecular Weight424.50 g/mol
Exact Mass424.17
IUPAC Namemethyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate
SMILESCOC(=O)COc1cccc(OCc2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C28H24O4/c1-30-28(29)20-32-27-14-8-13-26(18-27)31-19-21-15-24(22-9-4-2-5-10-22)17-25(16-21)23-11-6-3-7-12-23/h2-18H,19-20H2,1H3
InChIKeyUZYMWTVFMADBDV-UHFFFAOYSA-N
XLogP6.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
methyl 2-(3-acetyloxyphenoxy)acetate
CID 20717761
2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724
methyl 2-[3-[[3-(2-methoxy-2-oxoethoxy)phenyl]disulfanyl]phenoxy]acetate
CID 171804931
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
CID 1301261
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
CID 17359941
methyl 2-(3-phosphorosophenoxy)acetate
CID 118226316
methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate
CID 14995071
methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
CID 59419918
bis(methyl 2-phenoxyacetate);hexakis(methyl 2-phenylacetate);bis(2-phenylacetic acid)
CID 174488693

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate (CID 139707056) is methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate is COC(=O)COc1cccc(OCc2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.
What is the InChIKey of methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate?
The InChIKey is UZYMWTVFMADBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O4/c1-30-28(29)20-32-27-14-8-13-26(18-27)31-19-21-15-24(22-9-4-2-5-10-22)17-25(16-21)23-11-6-3-7-12-23/h2-18H,19-20H2,1H3.
What are the key properties of methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate?
methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate has a molecular weight of 424.50 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate is sourced from PubChem (CID 139707056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).