methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate

C20H24O6 — CID 135228474

IUPACmethyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate
SMILESCOC(=O)C(CCc1ccc(O)c(OC)c1)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C20H24O6/c1-24-18-11-13(5-8-16(18)21)4-7-15(20(23)26-3)10-14-6-9-17(22)19(12-14)25-2/h5-6,8-9,11-12,15,21-22H,4,7,10H2,1-3H3
InChIKeyGJTAQTAUBHWEMU-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.08
Rot. Bonds8

About methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate

methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate (PubChem CID 135228474) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate
PubChem CID135228474
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Namemethyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate
SMILESCOC(=O)C(CCc1ccc(O)c(OC)c1)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C20H24O6/c1-24-18-11-13(5-8-16(18)21)4-7-15(20(23)26-3)10-14-6-9-17(22)19(12-14)25-2/h5-6,8-9,11-12,15,21-22H,4,7,10H2,1-3H3
InChIKeyGJTAQTAUBHWEMU-UHFFFAOYSA-N
XLogP3.08
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate with MolForge

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Related Compounds

methyl formate;methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate
CID 144758132
2,7-bis[(4-hydroxy-3-methoxyphenyl)methyl]octanedioic acid
CID 122512055
methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate
CID 134337029
methyl (3R)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methylbutanoate
CID 143847693
3-benzyl-4-(4-hydroxy-3-methoxyphenyl)butan-2-one
CID 150139580
2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
CID 21120243
3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecan-5-one
CID 163102634
ethyl 2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butanoate
CID 21224421
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
2-[(4-hydroxy-3-methoxyphenyl)methyl]decanamide
CID 68625712
CID 175936648
CID 175936648
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate?
The IUPAC name of methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate (CID 135228474) is methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate.
What is the SMILES notation for methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate?
The canonical SMILES for methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate is COC(=O)C(CCc1ccc(O)c(OC)c1)Cc1ccc(O)c(OC)c1.
What is the InChIKey of methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate?
The InChIKey is GJTAQTAUBHWEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O6/c1-24-18-11-13(5-8-16(18)21)4-7-15(20(23)26-3)10-14-6-9-17(22)19(12-14)25-2/h5-6,8-9,11-12,15,21-22H,4,7,10H2,1-3H3.
What are the key properties of methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate?
methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate has a molecular weight of 360.41 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate is sourced from PubChem (CID 135228474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).