6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one

C19H15ClO4 — CID 139217452

IUPAC6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one
SMILESC=CCOc1cc(-c2cc(=O)c3cc(Cl)ccc3o2)ccc1OC
InChIInChI=1S/C19H15ClO4/c1-3-8-23-19-9-12(4-6-17(19)22-2)18-11-15(21)14-10-13(20)5-7-16(14)24-18/h3-7,9-11H,1,8H2,2H3
InChIKeyPWWCZPXKGAIMCU-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.69
Rot. Bonds5

About 6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one

6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one (PubChem CID 139217452) has the molecular formula C19H15ClO4 and a molecular weight of 342.78 g/mol. Its IUPAC name is 6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one
PubChem CID139217452
Molecular FormulaC19H15ClO4
Molecular Weight342.78 g/mol
Exact Mass342.07
IUPAC Name6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one
SMILESC=CCOc1cc(-c2cc(=O)c3cc(Cl)ccc3o2)ccc1OC
InChIInChI=1S/C19H15ClO4/c1-3-8-23-19-9-12(4-6-17(19)22-2)18-11-15(21)14-10-13(20)5-7-16(14)24-18/h3-7,9-11H,1,8H2,2H3
InChIKeyPWWCZPXKGAIMCU-UHFFFAOYSA-N
XLogP4.69
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
(NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine
CID 7730706
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 28811781
2-(4-aminophenyl)-6-chlorochromen-4-one
CID 82046480
2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran
CID 24946681
2-(4-fluoro-3-methoxyphenyl)chromen-4-one
CID 134910411
6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 72705992
2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163
6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one
CID 2239122
3,6,8-trichloro-2-(3-methoxy-4-prop-2-enoxyphenyl)chromen-4-one
CID 71609165
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-(3-methoxypropyl)azanium perchlorate
CID 20998908

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one?
The IUPAC name of 6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one (CID 139217452) is 6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one?
The canonical SMILES for 6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one is C=CCOc1cc(-c2cc(=O)c3cc(Cl)ccc3o2)ccc1OC.
What is the InChIKey of 6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one?
The InChIKey is PWWCZPXKGAIMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO4/c1-3-8-23-19-9-12(4-6-17(19)22-2)18-11-15(21)14-10-13(20)5-7-16(14)24-18/h3-7,9-11H,1,8H2,2H3.
What are the key properties of 6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one?
6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one has a molecular weight of 342.78 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one is sourced from PubChem (CID 139217452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).