methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate

C19H18O8 — CID 132558474

IUPACmethyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate
SMILESCOC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc2c1O[C@H](C)CC2=O
InChIInChI=1S/C19H18O8/c1-9-5-13(20)18-17(27-9)12(8-26-18)16(21)15-11(19(22)25-4)6-10(23-2)7-14(15)24-3/h6-9H,5H2,1-4H3/t9-/m1/s1
InChIKeyBLDKOKNYBYRQGV-SECBINFHSA-N
MW374.35 g/mol
LogP2.67
Rot. Bonds5

About methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate

methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate (PubChem CID 132558474) has the molecular formula C19H18O8 and a molecular weight of 374.35 g/mol. Its IUPAC name is methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate
PubChem CID132558474
Molecular FormulaC19H18O8
Molecular Weight374.35 g/mol
Exact Mass374.10
IUPAC Namemethyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate
SMILESCOC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc2c1O[C@H](C)CC2=O
InChIInChI=1S/C19H18O8/c1-9-5-13(20)18-17(27-9)12(8-26-18)16(21)15-11(19(22)25-4)6-10(23-2)7-14(15)24-3/h6-9H,5H2,1-4H3/t9-/m1/s1
InChIKeyBLDKOKNYBYRQGV-SECBINFHSA-N
XLogP2.67
TPSA101.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate with MolForge

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Related Compounds

methyl 3,5-dimethoxy-2-propanoylbenzoate
CID 6710788
methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate
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methyl 2-[4-hydroxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-carbonyl]-3,5-dimethoxybenzoate
CID 136843847
methyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate
CID 163169474
methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate
CID 10760652
methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate
CID 143566206
methyl 2-(2,6-dimethoxy-4-methylbenzoyl)-3-methoxy-5-sulfooxybenzoate
CID 156581974
methyl 2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxy-5-sulfooxybenzoate
CID 100640923
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
methyl 4-methoxy-2,2-dimethyl-3H-1-benzofuran-6-carboxylate;methyl 6-methoxy-2,2-dimethyl-3H-1-benzofuran-4-carboxylate
CID 158390754
5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid
CID 14207577
2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-5-yl)acetic acid
CID 596478

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate?
The IUPAC name of methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate (CID 132558474) is methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate.
What is the SMILES notation for methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate?
The canonical SMILES for methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate is COC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc2c1O[C@H](C)CC2=O.
What is the InChIKey of methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate?
The InChIKey is BLDKOKNYBYRQGV-SECBINFHSA-N. The full InChI is InChI=1S/C19H18O8/c1-9-5-13(20)18-17(27-9)12(8-26-18)16(21)15-11(19(22)25-4)6-10(23-2)7-14(15)24-3/h6-9H,5H2,1-4H3/t9-/m1/s1.
What are the key properties of methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate?
methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate has a molecular weight of 374.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate is sourced from PubChem (CID 132558474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).