methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate

C27H30O6 — CID 10837265

IUPACmethyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate
SMILESCCOc1ccc(CCOC(c2ccccc2)(c2ccccc2)C(O)C(=O)OC)cc1OC
InChIInChI=1S/C27H30O6/c1-4-32-23-16-15-20(19-24(23)30-2)17-18-33-27(25(28)26(29)31-3,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,19,25,28H,4,17-18H2,1-3H3
InChIKeyIZUKYAMHORRMLO-UHFFFAOYSA-N
MW450.53 g/mol
LogP4.13
Rot. Bonds11

About methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate

methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate (PubChem CID 10837265) has the molecular formula C27H30O6 and a molecular weight of 450.53 g/mol. Its IUPAC name is methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate
PubChem CID10837265
Molecular FormulaC27H30O6
Molecular Weight450.53 g/mol
Exact Mass450.20
IUPAC Namemethyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate
SMILESCCOc1ccc(CCOC(c2ccccc2)(c2ccccc2)C(O)C(=O)OC)cc1OC
InChIInChI=1S/C27H30O6/c1-4-32-23-16-15-20(19-24(23)30-2)17-18-33-27(25(28)26(29)31-3,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,19,25,28H,4,17-18H2,1-3H3
InChIKeyIZUKYAMHORRMLO-UHFFFAOYSA-N
XLogP4.13
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate
CID 10743745
3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid
CID 10766624
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372
2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide
CID 120592359
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891611
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate?
The IUPAC name of methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate (CID 10837265) is methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate.
What is the SMILES notation for methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate?
The canonical SMILES for methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate is CCOc1ccc(CCOC(c2ccccc2)(c2ccccc2)C(O)C(=O)OC)cc1OC.
What is the InChIKey of methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate?
The InChIKey is IZUKYAMHORRMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O6/c1-4-32-23-16-15-20(19-24(23)30-2)17-18-33-27(25(28)26(29)31-3,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,19,25,28H,4,17-18H2,1-3H3.
What are the key properties of methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate?
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate has a molecular weight of 450.53 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate is sourced from PubChem (CID 10837265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).