methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate

C27H24O8 — CID 86304727

IUPACmethyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate
SMILESCOC(=O)c1ccc(-c2c(OC)cc(OC)c3c(=O)c(OC)c(-c4ccc(OC)cc4)oc23)cc1
InChIInChI=1S/C27H24O8/c1-30-18-12-10-16(11-13-18)24-26(33-4)23(28)22-20(32-3)14-19(31-2)21(25(22)35-24)15-6-8-17(9-7-15)27(29)34-5/h6-14H,1-5H3
InChIKeyBPWPRLPJLLZCIP-UHFFFAOYSA-N
MW476.48 g/mol
LogP4.95
Rot. Bonds7

About methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate

methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate (PubChem CID 86304727) has the molecular formula C27H24O8 and a molecular weight of 476.48 g/mol. Its IUPAC name is methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate
PubChem CID86304727
Molecular FormulaC27H24O8
Molecular Weight476.48 g/mol
Exact Mass476.15
IUPAC Namemethyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate
SMILESCOC(=O)c1ccc(-c2c(OC)cc(OC)c3c(=O)c(OC)c(-c4ccc(OC)cc4)oc23)cc1
InChIInChI=1S/C27H24O8/c1-30-18-12-10-16(11-13-18)24-26(33-4)23(28)22-20(32-3)14-19(31-2)21(25(22)35-24)15-6-8-17(9-7-15)27(29)34-5/h6-14H,1-5H3
InChIKeyBPWPRLPJLLZCIP-UHFFFAOYSA-N
XLogP4.95
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate with MolForge

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Related Compounds

3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one
CID 86305068
4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzonitrile
CID 86304729
7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
CID 24880410
[6-acetyloxy-3,7,8-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
CID 10742532
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
[6-acetyloxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-3-yl] acetate
CID 10623735
4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde
CID 73357056
methyl 4-[(10S)-5-methoxy-3-(4-methoxyphenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]benzoate
CID 97045725
methyl 4-[(10R)-5-methoxy-3-(4-methoxyphenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]benzoate
CID 97045726
1,3,5,6-tetramethoxy-4-phenylxanthen-9-one
CID 73351016
formic acid;methyl 4-methoxybenzoate
CID 159779883
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate?
The IUPAC name of methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate (CID 86304727) is methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate.
What is the SMILES notation for methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate?
The canonical SMILES for methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate is COC(=O)c1ccc(-c2c(OC)cc(OC)c3c(=O)c(OC)c(-c4ccc(OC)cc4)oc23)cc1.
What is the InChIKey of methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate?
The InChIKey is BPWPRLPJLLZCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O8/c1-30-18-12-10-16(11-13-18)24-26(33-4)23(28)22-20(32-3)14-19(31-2)21(25(22)35-24)15-6-8-17(9-7-15)27(29)34-5/h6-14H,1-5H3.
What are the key properties of methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate?
methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate has a molecular weight of 476.48 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate is sourced from PubChem (CID 86304727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).