methyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate

C19H18O8 — CID 163169474

IUPACmethyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate
SMILESCC=Cc1cc(O)c(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)o1
InChIInChI=1S/C19H18O8/c1-5-6-10-8-13(20)16(19(23)27-10)17(21)15-12(18(22)26-4)7-11(24-2)9-14(15)25-3/h5-9,20H,1-4H3
InChIKeyMZOGQKSJABLFQY-UHFFFAOYSA-N
MW374.35 g/mol
LogP2.41
Rot. Bonds6

About methyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate

methyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate (PubChem CID 163169474) has the molecular formula C19H18O8 and a molecular weight of 374.35 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate
PubChem CID163169474
Molecular FormulaC19H18O8
Molecular Weight374.35 g/mol
Exact Mass374.10
IUPAC Namemethyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate
SMILESCC=Cc1cc(O)c(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)o1
InChIInChI=1S/C19H18O8/c1-5-6-10-8-13(20)16(19(23)27-10)17(21)15-12(18(22)26-4)7-11(24-2)9-14(15)25-3/h5-9,20H,1-4H3
InChIKeyMZOGQKSJABLFQY-UHFFFAOYSA-N
XLogP2.41
TPSA112.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[4-hydroxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-carbonyl]-3,5-dimethoxybenzoate
CID 136843847
methyl 2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxy-5-sulfooxybenzoate
CID 100640923
methyl 3,5-dimethoxy-2-propanoylbenzoate
CID 6710788
methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate
CID 10760652
methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate
CID 132558474
methyl 5-(4-bromobenzoyl)oxy-2-(2,6-dihydroxy-4-methylbenzoyl)-3-methoxybenzoate
CID 10673393
methyl 2-(2,6-dimethoxy-4-methylbenzoyl)-3-methoxy-5-sulfooxybenzoate
CID 156581974
methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate
CID 170874053
methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
CID 141326808
methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate
CID 142641908
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate?
The IUPAC name of methyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate (CID 163169474) is methyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate is CC=Cc1cc(O)c(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)o1.
What is the InChIKey of methyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate?
The InChIKey is MZOGQKSJABLFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O8/c1-5-6-10-8-13(20)16(19(23)27-10)17(21)15-12(18(22)26-4)7-11(24-2)9-14(15)25-3/h5-9,20H,1-4H3.
What are the key properties of methyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate?
methyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate has a molecular weight of 374.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxy-2-oxo-6-prop-1-enylpyran-3-carbonyl)-3,5-dimethoxybenzoate is sourced from PubChem (CID 163169474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).