methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate

C23H26O8 — CID 134337029

IUPACmethyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate
SMILESCOC(=O)C(C(=O)CCc1ccc(O)c(OC)c1)C(=O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C23H26O8/c1-29-20-12-14(4-8-16(20)24)6-10-18(26)22(23(28)31-3)19(27)11-7-15-5-9-17(25)21(13-15)30-2/h4-5,8-9,12-13,22,24-25H,6-7,10-11H2,1-3H3
InChIKeyUMPVBLOLHBSJSZ-UHFFFAOYSA-N
MW430.45 g/mol
LogP2.61
Rot. Bonds11

About methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate

methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate (PubChem CID 134337029) has the molecular formula C23H26O8 and a molecular weight of 430.45 g/mol. Its IUPAC name is methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate
PubChem CID134337029
Molecular FormulaC23H26O8
Molecular Weight430.45 g/mol
Exact Mass430.16
IUPAC Namemethyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate
SMILESCOC(=O)C(C(=O)CCc1ccc(O)c(OC)c1)C(=O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C23H26O8/c1-29-20-12-14(4-8-16(20)24)6-10-18(26)22(23(28)31-3)19(27)11-7-15-5-9-17(25)21(13-15)30-2/h4-5,8-9,12-13,22,24-25H,6-7,10-11H2,1-3H3
InChIKeyUMPVBLOLHBSJSZ-UHFFFAOYSA-N
XLogP2.61
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 175936648
CID 175936648
methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate
CID 135228474
ethyl 2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butanoate
CID 21224421
magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
CID 154644614
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
ethane;1-(4-hydroxy-3-methoxyphenyl)pentan-3-one
CID 154645810
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71334151
[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]butyl] 3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 57393829
dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate
CID 171933866
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
(6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
CID 162944026
(Z)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 91715816

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate?
The IUPAC name of methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate (CID 134337029) is methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate.
What is the SMILES notation for methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate?
The canonical SMILES for methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate is COC(=O)C(C(=O)CCc1ccc(O)c(OC)c1)C(=O)CCc1ccc(O)c(OC)c1.
What is the InChIKey of methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate?
The InChIKey is UMPVBLOLHBSJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O8/c1-29-20-12-14(4-8-16(20)24)6-10-18(26)22(23(28)31-3)19(27)11-7-15-5-9-17(25)21(13-15)30-2/h4-5,8-9,12-13,22,24-25H,6-7,10-11H2,1-3H3.
What are the key properties of methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate?
methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate has a molecular weight of 430.45 g/mol, XLogP of 2.61, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate is sourced from PubChem (CID 134337029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).