5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one

C19H15ClO3 — CID 807140

IUPAC5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one
SMILESC=C(Cl)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12
InChIInChI=1S/C19H15ClO3/c1-12-8-16(22-11-13(2)20)19-15(14-6-4-3-5-7-14)10-18(21)23-17(19)9-12/h3-10H,2,11H2,1H3
InChIKeyJJMJMQZJTSMMQT-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.90
Rot. Bonds4

About 5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one

5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one (PubChem CID 807140) has the molecular formula C19H15ClO3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one.

Molecular Properties

Compound Name5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one
PubChem CID807140
Molecular FormulaC19H15ClO3
Molecular Weight326.78 g/mol
Exact Mass326.07
IUPAC Name5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one
SMILESC=C(Cl)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12
InChIInChI=1S/C19H15ClO3/c1-12-8-16(22-11-13(2)20)19-15(14-6-4-3-5-7-14)10-18(21)23-17(19)9-12/h3-10H,2,11H2,1H3
InChIKeyJJMJMQZJTSMMQT-UHFFFAOYSA-N
XLogP4.90
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.90
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

propan-2-yl 2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetate
CID 2888651
N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide
CID 1300109
5-[(2-chloro-4-fluorophenyl)methoxy]-7-methyl-4-phenylchromen-2-one
CID 23823945
N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide
CID 2351690
7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-phenylchromen-2-one
CID 2325275
ethyl (2S)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxypropanoate
CID 982342
2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide
CID 166604349
methyl (2R)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxy-2-phenylacetate
CID 1304742
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
CID 662287
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide
CID 4909677
ethyl (2R)-2-[5-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxy-2-oxo-4-phenylchromen-7-yl]oxypropanoate
CID 1232628
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one?
The IUPAC name of 5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one (CID 807140) is 5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one.
What is the SMILES notation for 5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one?
The canonical SMILES for 5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one is C=C(Cl)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12.
What is the InChIKey of 5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one?
The InChIKey is JJMJMQZJTSMMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO3/c1-12-8-16(22-11-13(2)20)19-15(14-6-4-3-5-7-14)10-18(21)23-17(19)9-12/h3-10H,2,11H2,1H3.
What are the key properties of 5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one?
5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one has a molecular weight of 326.78 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one is sourced from PubChem (CID 807140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).