3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione

C14H14O5 — CID 157185705

IUPAC3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione
SMILESC=C(COC1(C)C(=O)Oc2ccccc2C1=O)OC
InChIInChI=1S/C14H14O5/c1-9(17-3)8-18-14(2)12(15)10-6-4-5-7-11(10)19-13(14)16/h4-7H,1,8H2,2-3H3
InChIKeySRRSEVIBDNAYFV-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.72
Rot. Bonds4

About 3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione

3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione (PubChem CID 157185705) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione.

Molecular Properties

Compound Name3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione
PubChem CID157185705
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione
SMILESC=C(COC1(C)C(=O)Oc2ccccc2C1=O)OC
InChIInChI=1S/C14H14O5/c1-9(17-3)8-18-14(2)12(15)10-6-4-5-7-11(10)19-13(14)16/h4-7H,1,8H2,2-3H3
InChIKeySRRSEVIBDNAYFV-UHFFFAOYSA-N
XLogP1.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione
CID 172947981
2-methoxy-2-methyl-1-benzofuran-3-one
CID 13400306
3-benzyl-3-tert-butylperoxychromene-2,4-dione
CID 154712950
3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)chromene-2,4-dione
CID 101243052
dimethyl 2-xanthen-9-ylidenepropanedioate
CID 15263203
3-tert-butylperoxy-3-[(4-methylphenyl)methyl]chromene-2,4-dione
CID 154712444
3-hydroxy-3-methyl-1-benzofuran-2-one
CID 86145781
4-[chloro(phenyl)methylidene]-3-methyl-3-(2,2,2-trifluoroethyl)chromen-2-one
CID 175102189
methyl 2-[(R)-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-phenylmethyl]prop-2-enoate
CID 53386977
dimethyl (1R,2R,11R,12R)-10,13-dioxo-3,20-dioxapentacyclo[10.8.0.02,11.04,9.014,19]icosa-4,6,8,14,16,18-hexaene-1,2-dicarboxylate
CID 101464223
methyl 1-methoxy-1-methyl-8-oxo-2,2a-dihydrocyclobuta[b]chromene-8a-carboxylate
CID 102113273
methyl 2-[[3-(2-methoxycarbonylprop-2-enyl)-2,6-dioxo-3,5-diphenylfuro[3,2-f][1]benzofuran-5-yl]methyl]prop-2-enoate
CID 59137765

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione?
The IUPAC name of 3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione (CID 157185705) is 3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione.
What is the SMILES notation for 3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione?
The canonical SMILES for 3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione is C=C(COC1(C)C(=O)Oc2ccccc2C1=O)OC.
What is the InChIKey of 3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione?
The InChIKey is SRRSEVIBDNAYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-9(17-3)8-18-14(2)12(15)10-6-4-5-7-11(10)19-13(14)16/h4-7H,1,8H2,2-3H3.
What are the key properties of 3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione?
3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione has a molecular weight of 262.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione is sourced from PubChem (CID 157185705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).