prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate

C18H20O4 — CID 101410049

IUPACprop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate
SMILESC=CCOC(=O)C1(CC=C)CCc2cc(OC)ccc2C1=O
InChIInChI=1S/C18H20O4/c1-4-9-18(17(20)22-11-5-2)10-8-13-12-14(21-3)6-7-15(13)16(18)19/h4-7,12H,1-2,8-11H2,3H3
InChIKeyVHDFNNYXFYDKGR-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.12
Rot. Bonds6

About prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate

prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate (PubChem CID 101410049) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate
PubChem CID101410049
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Nameprop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate
SMILESC=CCOC(=O)C1(CC=C)CCc2cc(OC)ccc2C1=O
InChIInChI=1S/C18H20O4/c1-4-9-18(17(20)22-11-5-2)10-8-13-12-14(21-3)6-7-15(13)16(18)19/h4-7,12H,1-2,8-11H2,3H3
InChIKeyVHDFNNYXFYDKGR-UHFFFAOYSA-N
XLogP3.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile
CID 70610370
2,2-bis(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one
CID 102026561
2-butyl-5-methoxy-2-prop-2-enyl-3H-inden-1-one
CID 12045757
ethyl 2-(2-ethyl-6-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 71062915
2-butyl-2-ethenyl-6-methoxy-3,4-dihydronaphthalen-1-one
CID 89098107
2-ethenyl-5-methoxy-2-pentyl-3H-inden-1-one
CID 89098105
ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 161055612
tert-butyl (2R)-6-methoxy-3-oxo-2-(3-oxobutyl)-1H-indene-2-carboxylate
CID 102166533
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
5,6-bis(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one
CID 132563408
methyl 7-chloro-1-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-4,5-dihydro-1-benzazepine-3-carboxylate
CID 70439827
2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate
CID 174994017

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate?
The IUPAC name of prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate (CID 101410049) is prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate?
The canonical SMILES for prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate is C=CCOC(=O)C1(CC=C)CCc2cc(OC)ccc2C1=O.
What is the InChIKey of prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate?
The InChIKey is VHDFNNYXFYDKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-4-9-18(17(20)22-11-5-2)10-8-13-12-14(21-3)6-7-15(13)16(18)19/h4-7,12H,1-2,8-11H2,3H3.
What are the key properties of prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate?
prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate has a molecular weight of 300.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 101410049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).