[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate

C24H22O4 — CID 23996757

IUPAC[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate
SMILESCOc1cc(C=Cc2ccccc2)ccc1OC(=O)COc1ccccc1C
InChIInChI=1S/C24H22O4/c1-18-8-6-7-11-21(18)27-17-24(25)28-22-15-14-20(16-23(22)26-2)13-12-19-9-4-3-5-10-19/h3-16H,17H2,1-2H3
InChIKeyPNDQSAAVGFRXPZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.16
Rot. Bonds7

About [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate

[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate (PubChem CID 23996757) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate
PubChem CID23996757
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate
SMILESCOc1cc(C=Cc2ccccc2)ccc1OC(=O)COc1ccccc1C
InChIInChI=1S/C24H22O4/c1-18-8-6-7-11-21(18)27-17-24(25)28-22-15-14-20(16-23(22)26-2)13-12-19-9-4-3-5-10-19/h3-16H,17H2,1-2H3
InChIKeyPNDQSAAVGFRXPZ-UHFFFAOYSA-N
XLogP5.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 19171202
[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate
CID 5202902
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 2-(4-tert-butylphenoxy)acetate
CID 19171208
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetate
CID 19171210
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-(2-ethoxyphenoxy)acetate
CID 19177569
[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-chloro-3,5-dimethylphenoxy)acetate
CID 19171250
[4-(2-cyano-2-phenylethenyl)-2-methoxyphenyl] 2-(2,6-dimethylphenoxy)acetate
CID 23987837
[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate
CID 19171263
[4-[(Z)-2-cyano-2-phenylethenyl]-2-methoxyphenyl] 2-(2,6-dimethylphenoxy)acetate
CID 19170662
(2-acetylphenyl) 2-(2-methylphenoxy)acetate
CID 15211367
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 2,3,3-triphenylpropanoate
CID 19171169
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate (CID 23996757) is [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate is COc1cc(C=Cc2ccccc2)ccc1OC(=O)COc1ccccc1C.
What is the InChIKey of [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate?
The InChIKey is PNDQSAAVGFRXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-18-8-6-7-11-21(18)27-17-24(25)28-22-15-14-20(16-23(22)26-2)13-12-19-9-4-3-5-10-19/h3-16H,17H2,1-2H3.
What are the key properties of [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate?
[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate has a molecular weight of 374.44 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 23996757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).