7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one

C15H16O3 — CID 163502914

IUPAC7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one
SMILESC/C=C\c1c(C)c2ccc(OCC)cc2oc1=O
InChIInChI=1S/C15H16O3/c1-4-6-13-10(3)12-8-7-11(17-5-2)9-14(12)18-15(13)16/h4,6-9H,5H2,1-3H3/b6-4-
InChIKeyCWFZZKYABQLUKX-XQRVVYSFSA-N
MW244.29 g/mol
LogP3.53
Rot. Bonds3

About 7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one

7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one (PubChem CID 163502914) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one.

Molecular Properties

Compound Name7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one
PubChem CID163502914
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one
SMILESC/C=C\c1c(C)c2ccc(OCC)cc2oc1=O
InChIInChI=1S/C15H16O3/c1-4-6-13-10(3)12-8-7-11(17-5-2)9-14(12)18-15(13)16/h4,6-9H,5H2,1-3H3/b6-4-
InChIKeyCWFZZKYABQLUKX-XQRVVYSFSA-N
XLogP3.53
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-ethoxy-4-methyl-2-oxochromene-3-carboxylic acid
CID 102547088
7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one
CID 52945027
2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetaldehyde
CID 11148965
3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-7-methoxy-4-methylchromen-2-one
CID 72544099
3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
CID 73387965
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide
CID 770841
3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 11843295
12-(3,4-dimethyl-2-oxochromen-7-yl)oxydodecyl propanoate
CID 164597251
8-(3-fluoro-4-methyl-2-oxochromen-7-yl)oxyoctyl propanoate
CID 164597371
3-ethyl-4-methyl-7-(2-methylpropoxy)chromen-2-one
CID 4081676
4-(chloromethyl)-7-ethoxychromen-2-one
CID 71339287
propan-2-yl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 882841

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one?
The IUPAC name of 7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one (CID 163502914) is 7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one.
What is the SMILES notation for 7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one?
The canonical SMILES for 7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one is C/C=C\c1c(C)c2ccc(OCC)cc2oc1=O.
What is the InChIKey of 7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one?
The InChIKey is CWFZZKYABQLUKX-XQRVVYSFSA-N. The full InChI is InChI=1S/C15H16O3/c1-4-6-13-10(3)12-8-7-11(17-5-2)9-14(12)18-15(13)16/h4,6-9H,5H2,1-3H3/b6-4-.
What are the key properties of 7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one?
7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one has a molecular weight of 244.29 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one is sourced from PubChem (CID 163502914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).