methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate

C23H20O5 — CID 73427465

IUPACmethyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccccc1Oc1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H20O5/c1-25-18-8-10-19(11-9-18)27-20-12-14-21(15-13-20)28-22-6-4-3-5-17(22)7-16-23(24)26-2/h3-16H,1-2H3/b16-7+
InChIKeyMBVBREYLQZANMZ-FRKPEAEDSA-N
MW376.41 g/mol
LogP5.47
Rot. Bonds7

About methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate

methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate (PubChem CID 73427465) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate
PubChem CID73427465
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Namemethyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccccc1Oc1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H20O5/c1-25-18-8-10-19(11-9-18)27-20-12-14-21(15-13-20)28-22-6-4-3-5-17(22)7-16-23(24)26-2/h3-16H,1-2H3/b16-7+
InChIKeyMBVBREYLQZANMZ-FRKPEAEDSA-N
XLogP5.47
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[2-[(6-methoxy-1-benzothiophen-3-yl)oxy]phenyl]prop-2-enoate
CID 118574949
3-[2-(4-methylphenoxy)phenyl]prop-2-enoic acid
CID 737486
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
3-(2-phenoxyphenyl)prop-2-enoic acid
CID 737422
N-hydroxy-3-[2-(3-methoxyphenoxy)phenyl]prop-2-enamide
CID 78137677
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid
CID 5399136
methyl (E)-3-(2-formylphenyl)prop-2-enoate
CID 11321421
methyl 3-[2-(4-fluorophenoxy)-5-(methylamino)phenyl]prop-2-enoate
CID 123209930
(E)-3-(2-phenoxyphenyl)prop-2-enamide
CID 1490836
N-ethyl-3-(2-phenoxyphenyl)prop-2-enamide
CID 70351376
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate (CID 73427465) is methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate is COC(=O)/C=C/c1ccccc1Oc1ccc(Oc2ccc(OC)cc2)cc1.
What is the InChIKey of methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate?
The InChIKey is MBVBREYLQZANMZ-FRKPEAEDSA-N. The full InChI is InChI=1S/C23H20O5/c1-25-18-8-10-19(11-9-18)27-20-12-14-21(15-13-20)28-22-6-4-3-5-17(22)7-16-23(24)26-2/h3-16H,1-2H3/b16-7+.
What are the key properties of methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate?
methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate has a molecular weight of 376.41 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 73427465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).