methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate

C30H30O10 — CID 162778633

IUPACmethyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cc(=O)c2c(OC)ccc(-c3ccc(OC)c4c(=O)cc(C(C)(C)C(=O)OC)oc34)c2o1
InChIInChI=1S/C30H30O10/c1-29(2,27(33)37-7)21-13-17(31)23-19(35-5)11-9-15(25(23)39-21)16-10-12-20(36-6)24-18(32)14-22(40-26(16)24)30(3,4)28(34)38-8/h9-14H,1-8H3
InChIKeyHQRBOVVZNHOPGK-UHFFFAOYSA-N
MW550.56 g/mol
LogP4.48
Rot. Bonds7

About methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate

methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate (PubChem CID 162778633) has the molecular formula C30H30O10 and a molecular weight of 550.56 g/mol. Its IUPAC name is methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate
PubChem CID162778633
Molecular FormulaC30H30O10
Molecular Weight550.56 g/mol
Exact Mass550.18
IUPAC Namemethyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cc(=O)c2c(OC)ccc(-c3ccc(OC)c4c(=O)cc(C(C)(C)C(=O)OC)oc34)c2o1
InChIInChI=1S/C30H30O10/c1-29(2,27(33)37-7)21-13-17(31)23-19(35-5)11-9-15(25(23)39-21)16-10-12-20(36-6)24-18(32)14-22(40-26(16)24)30(3,4)28(34)38-8/h9-14H,1-8H3
InChIKeyHQRBOVVZNHOPGK-UHFFFAOYSA-N
XLogP4.48
TPSA131.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.56
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate with MolForge

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Related Compounds

5,8-dimethoxy-4-oxochromene-2-carboxylate
CID 6928203
methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 116963053
N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide
CID 70365404
2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
CID 50991857
5,8-dimethoxy-2-methylsulfanylchromen-4-one
CID 134910868
methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate
CID 116963092
5-methoxy-2-(trifluoromethyl)chromen-4-one
CID 134855912
methyl 2-(4-iodo-3-methoxyphenyl)-2-methylpropanoate
CID 162427239
methoxy-[2-methoxy-5-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-oxoazanium
CID 123974407
2-(3,4-dimethoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 71403910
methyl 2-(5-bromo-2-methoxyphenyl)-2,3,3,3-tetrafluoropropanoate
CID 73427434
3-(5-bromo-2-methoxyphenyl)-3-methylbutan-2-one
CID 82306037

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate (CID 162778633) is methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate is COC(=O)C(C)(C)c1cc(=O)c2c(OC)ccc(-c3ccc(OC)c4c(=O)cc(C(C)(C)C(=O)OC)oc34)c2o1.
What is the InChIKey of methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate?
The InChIKey is HQRBOVVZNHOPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O10/c1-29(2,27(33)37-7)21-13-17(31)23-19(35-5)11-9-15(25(23)39-21)16-10-12-20(36-6)24-18(32)14-22(40-26(16)24)30(3,4)28(34)38-8/h9-14H,1-8H3.
What are the key properties of methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate?
methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate has a molecular weight of 550.56 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate is sourced from PubChem (CID 162778633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).