ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate

C19H18O7 — CID 88718378

IUPACethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate
SMILESC=CCc1c(O)c(C(=O)CC(=O)C(=O)OCC)cc2c(C)cc(=O)oc12
InChIInChI=1S/C19H18O7/c1-4-6-11-17(23)13(14(20)9-15(21)19(24)25-5-2)8-12-10(3)7-16(22)26-18(11)12/h4,7-8,23H,1,5-6,9H2,2-3H3
InChIKeyPOGSQMYVGJPJIL-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.24
Rot. Bonds7

About ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate

ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate (PubChem CID 88718378) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate.

Molecular Properties

Compound Nameethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate
PubChem CID88718378
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Nameethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate
SMILESC=CCc1c(O)c(C(=O)CC(=O)C(=O)OCC)cc2c(C)cc(=O)oc12
InChIInChI=1S/C19H18O7/c1-4-6-11-17(23)13(14(20)9-15(21)19(24)25-5-2)8-12-10(3)7-16(22)26-18(11)12/h4,7-8,23H,1,5-6,9H2,2-3H3
InChIKeyPOGSQMYVGJPJIL-UHFFFAOYSA-N
XLogP2.24
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate with MolForge

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Related Compounds

7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one
CID 13298920
(4,6-dimethyl-2-oxo-8-prop-2-enylchromen-7-yl) acetate
CID 13298923
6,7-dihydroxy-4-methyl-8-prop-2-enylchromene-2-thione
CID 137292703
7-hydroxy-4,5-dimethyl-8-prop-2-enylchromen-2-one
CID 12900448
ethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate
CID 59776448
8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one
CID 71342682
7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one
CID 139981642
ethyl N-(4,6-dimethyl-8-nitro-2-oxochromen-7-yl)carbamate
CID 14690250
ethyl 4-(4-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-2,4-dioxobutanoate
CID 155686027
6-ethyl-7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
CID 102598102
ethyl 4-(5-chloro-2-methylphenyl)-2,4-dioxobutanoate
CID 90277033
7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one
CID 14089868

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate?
The IUPAC name of ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate (CID 88718378) is ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate.
What is the SMILES notation for ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate?
The canonical SMILES for ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate is C=CCc1c(O)c(C(=O)CC(=O)C(=O)OCC)cc2c(C)cc(=O)oc12.
What is the InChIKey of ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate?
The InChIKey is POGSQMYVGJPJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-4-6-11-17(23)13(14(20)9-15(21)19(24)25-5-2)8-12-10(3)7-16(22)26-18(11)12/h4,7-8,23H,1,5-6,9H2,2-3H3.
What are the key properties of ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate?
ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate has a molecular weight of 358.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate is sourced from PubChem (CID 88718378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).