methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate

C30H36O6 — CID 10743745

IUPACmethyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate
SMILESCCc1ccc(C(OCCc2ccc(OC)c(OC)c2)(c2ccc(CC)cc2)C(O)C(=O)OC)cc1
InChIInChI=1S/C30H36O6/c1-6-21-8-13-24(14-9-21)30(28(31)29(32)35-5,25-15-10-22(7-2)11-16-25)36-19-18-23-12-17-26(33-3)27(20-23)34-4/h8-17,20,28,31H,6-7,18-19H2,1-5H3
InChIKeySJLPIWZZHLTAST-UHFFFAOYSA-N
MW492.61 g/mol
LogP4.87
Rot. Bonds12

About methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate

methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate (PubChem CID 10743745) has the molecular formula C30H36O6 and a molecular weight of 492.61 g/mol. Its IUPAC name is methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate
PubChem CID10743745
Molecular FormulaC30H36O6
Molecular Weight492.61 g/mol
Exact Mass492.25
IUPAC Namemethyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate
SMILESCCc1ccc(C(OCCc2ccc(OC)c(OC)c2)(c2ccc(CC)cc2)C(O)C(=O)OC)cc1
InChIInChI=1S/C30H36O6/c1-6-21-8-13-24(14-9-21)30(28(31)29(32)35-5,25-15-10-22(7-2)11-16-25)36-19-18-23-12-17-26(33-3)27(20-23)34-4/h8-17,20,28,31H,6-7,18-19H2,1-5H3
InChIKeySJLPIWZZHLTAST-UHFFFAOYSA-N
XLogP4.87
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate
CID 10837265
3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid
CID 10766624
methyl 4-(3,4-dimethoxyphenyl)-2-nitrosobutanoate
CID 54372305
methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate
CID 107668050
dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate
CID 171933870
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 2607192
4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol
CID 79422604
1-(3,4-dimethoxyphenyl)hexane-3,4-diol
CID 83928894
methyl 4-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbutanoate
CID 66289003
tert-butyl 2-[2-(3,4-dimethoxyphenyl)ethylamino]acetate
CID 14036483
ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate
CID 23533716
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate?
The IUPAC name of methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate (CID 10743745) is methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate is CCc1ccc(C(OCCc2ccc(OC)c(OC)c2)(c2ccc(CC)cc2)C(O)C(=O)OC)cc1.
What is the InChIKey of methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate?
The InChIKey is SJLPIWZZHLTAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36O6/c1-6-21-8-13-24(14-9-21)30(28(31)29(32)35-5,25-15-10-22(7-2)11-16-25)36-19-18-23-12-17-26(33-3)27(20-23)34-4/h8-17,20,28,31H,6-7,18-19H2,1-5H3.
What are the key properties of methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate?
methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate has a molecular weight of 492.61 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate is sourced from PubChem (CID 10743745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).