phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate

C31H30O6 — CID 139894806

IUPACphenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate
SMILESCCOC(Cc1ccc(OC)c(OCc2ccc(Oc3ccccc3)cc2)c1)C(=O)Oc1ccccc1
InChIInChI=1S/C31H30O6/c1-3-34-30(31(32)37-26-12-8-5-9-13-26)21-24-16-19-28(33-2)29(20-24)35-22-23-14-17-27(18-15-23)36-25-10-6-4-7-11-25/h4-20,30H,3,21-22H2,1-2H3
InChIKeyGWUPQEAIGYXEOY-UHFFFAOYSA-N
MW498.58 g/mol
LogP6.62
Rot. Bonds12

About phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate

phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate (PubChem CID 139894806) has the molecular formula C31H30O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Namephenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate
PubChem CID139894806
Molecular FormulaC31H30O6
Molecular Weight498.58 g/mol
Exact Mass498.20
IUPAC Namephenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate
SMILESCCOC(Cc1ccc(OC)c(OCc2ccc(Oc3ccccc3)cc2)c1)C(=O)Oc1ccccc1
InChIInChI=1S/C31H30O6/c1-3-34-30(31(32)37-26-12-8-5-9-13-26)21-24-16-19-28(33-2)29(20-24)35-22-23-14-17-27(18-15-23)36-25-10-6-4-7-11-25/h4-20,30H,3,21-22H2,1-2H3
InChIKeyGWUPQEAIGYXEOY-UHFFFAOYSA-N
XLogP6.62
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid
CID 139894799
2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid
CID 175151387
(2S)-2-ethoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoate
CID 58822722
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
ethyl 2-ethoxy-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
CID 139894773
2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 133241102
3-chloro-4-(3-methoxy-4-phenylmethoxyphenyl)butan-2-one
CID 82185007
3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid
CID 71000571
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-propanoyloxypropanoate
CID 123604883
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823

Frequently Asked Questions

What is the IUPAC name of phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate?
The IUPAC name of phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate (CID 139894806) is phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate.
What is the SMILES notation for phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate?
The canonical SMILES for phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate is CCOC(Cc1ccc(OC)c(OCc2ccc(Oc3ccccc3)cc2)c1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate?
The InChIKey is GWUPQEAIGYXEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O6/c1-3-34-30(31(32)37-26-12-8-5-9-13-26)21-24-16-19-28(33-2)29(20-24)35-22-23-14-17-27(18-15-23)36-25-10-6-4-7-11-25/h4-20,30H,3,21-22H2,1-2H3.
What are the key properties of phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate?
phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate has a molecular weight of 498.58 g/mol, XLogP of 6.62, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate is sourced from PubChem (CID 139894806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).