methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate

C18H22O8 — CID 132578877

IUPACmethyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate
SMILESCOC(=O)[C@@H](C[C@H](OC)c1c(OC)cc(O)c2c(=O)cc(C)oc12)OC
InChIInChI=1S/C18H22O8/c1-9-6-10(19)15-11(20)7-12(22-2)16(17(15)26-9)13(23-3)8-14(24-4)18(21)25-5/h6-7,13-14,20H,8H2,1-5H3/t13-,14+/m0/s1
InChIKeyBKVHVYLMRZGKDR-UONOGXRCSA-N
MW366.37 g/mol
LogP2.08
Rot. Bonds7

About methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate

methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate (PubChem CID 132578877) has the molecular formula C18H22O8 and a molecular weight of 366.37 g/mol. Its IUPAC name is methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate.

Molecular Properties

Compound Namemethyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate
PubChem CID132578877
Molecular FormulaC18H22O8
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC Namemethyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate
SMILESCOC(=O)[C@@H](C[C@H](OC)c1c(OC)cc(O)c2c(=O)cc(C)oc12)OC
InChIInChI=1S/C18H22O8/c1-9-6-10(19)15-11(20)7-12(22-2)16(17(15)26-9)13(23-3)8-14(24-4)18(21)25-5/h6-7,13-14,20H,8H2,1-5H3/t13-,14+/m0/s1
InChIKeyBKVHVYLMRZGKDR-UONOGXRCSA-N
XLogP2.08
TPSA104.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate with MolForge

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Related Compounds

5,8-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 75361247
5-hydroxy-8-[(2S)-2-hydroxy-3-methylbut-3-enyl]-7-methoxy-2-methylchromen-4-one
CID 163020135
5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 52918156
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
CID 14482774
5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one
CID 139586252
4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one
CID 135849817
4,4-bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid
CID 23958194
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(5-hydroxy-2,8-dimethyl-4-oxochromen-7-yl)oxyoxan-2-yl]methyl acetate
CID 138756197
methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate
CID 117378480
methyl (3S)-3-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 97424497
methyl (3S)-3-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 97425633
5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione
CID 71438742

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate?
The IUPAC name of methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate (CID 132578877) is methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate.
What is the SMILES notation for methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate?
The canonical SMILES for methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate is COC(=O)[C@@H](C[C@H](OC)c1c(OC)cc(O)c2c(=O)cc(C)oc12)OC.
What is the InChIKey of methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate?
The InChIKey is BKVHVYLMRZGKDR-UONOGXRCSA-N. The full InChI is InChI=1S/C18H22O8/c1-9-6-10(19)15-11(20)7-12(22-2)16(17(15)26-9)13(23-3)8-14(24-4)18(21)25-5/h6-7,13-14,20H,8H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate?
methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate has a molecular weight of 366.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoate is sourced from PubChem (CID 132578877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).