7-methoxy-3-prop-1-en-2-ylchromen-2-one

C13H12O3 — CID 24787160

IUPAC7-methoxy-3-prop-1-en-2-ylchromen-2-one
SMILESC=C(C)c1cc2ccc(OC)cc2oc1=O
InChIInChI=1S/C13H12O3/c1-8(2)11-6-9-4-5-10(15-3)7-12(9)16-13(11)14/h4-7H,1H2,2-3H3
InChIKeyOJYFIVKEEQJQLD-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.83
Rot. Bonds2

About 7-methoxy-3-prop-1-en-2-ylchromen-2-one

7-methoxy-3-prop-1-en-2-ylchromen-2-one (PubChem CID 24787160) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 7-methoxy-3-prop-1-en-2-ylchromen-2-one.

Molecular Properties

Compound Name7-methoxy-3-prop-1-en-2-ylchromen-2-one
PubChem CID24787160
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name7-methoxy-3-prop-1-en-2-ylchromen-2-one
SMILESC=C(C)c1cc2ccc(OC)cc2oc1=O
InChIInChI=1S/C13H12O3/c1-8(2)11-6-9-4-5-10(15-3)7-12(9)16-13(11)14/h4-7H,1H2,2-3H3
InChIKeyOJYFIVKEEQJQLD-UHFFFAOYSA-N
XLogP2.83
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.83
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

4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide
CID 176514673
2-hydroxyethyl 7-methoxy-2-oxochromene-3-carboxylate
CID 11651849
2-[(7-methoxy-2-oxochromene-3-carbonyl)amino]propanedioic acid
CID 20823648
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
ethyl 3-(7-methoxy-2-oxochromen-3-yl)-3-oxopropanoate
CID 91733252
7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one
CID 39161891
prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate
CID 170900330
(3-acetyl-2-oxochromen-7-yl) acetate
CID 3905048
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
7-methoxy-2-oxochromene-3-carbaldehyde
CID 10420437
3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one
CID 156776464

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-prop-1-en-2-ylchromen-2-one?
The IUPAC name of 7-methoxy-3-prop-1-en-2-ylchromen-2-one (CID 24787160) is 7-methoxy-3-prop-1-en-2-ylchromen-2-one.
What is the SMILES notation for 7-methoxy-3-prop-1-en-2-ylchromen-2-one?
The canonical SMILES for 7-methoxy-3-prop-1-en-2-ylchromen-2-one is C=C(C)c1cc2ccc(OC)cc2oc1=O.
What is the InChIKey of 7-methoxy-3-prop-1-en-2-ylchromen-2-one?
The InChIKey is OJYFIVKEEQJQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8(2)11-6-9-4-5-10(15-3)7-12(9)16-13(11)14/h4-7H,1H2,2-3H3.
What are the key properties of 7-methoxy-3-prop-1-en-2-ylchromen-2-one?
7-methoxy-3-prop-1-en-2-ylchromen-2-one has a molecular weight of 216.24 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-prop-1-en-2-ylchromen-2-one is sourced from PubChem (CID 24787160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).