2-(3,4-dichlorophenyl)-5-methoxychromen-4-one

C16H10Cl2O3 — CID 10041721

IUPAC2-(3,4-dichlorophenyl)-5-methoxychromen-4-one
SMILESCOc1cccc2oc(-c3ccc(Cl)c(Cl)c3)cc(=O)c12
InChIInChI=1S/C16H10Cl2O3/c1-20-13-3-2-4-14-16(13)12(19)8-15(21-14)9-5-6-10(17)11(18)7-9/h2-8H,1H3
InChIKeyIYAPTTHGBGUKOU-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.78
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-5-methoxychromen-4-one

2-(3,4-dichlorophenyl)-5-methoxychromen-4-one (PubChem CID 10041721) has the molecular formula C16H10Cl2O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-methoxychromen-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-methoxychromen-4-one
PubChem CID10041721
Molecular FormulaC16H10Cl2O3
Molecular Weight321.16 g/mol
Exact Mass320.00
IUPAC Name2-(3,4-dichlorophenyl)-5-methoxychromen-4-one
SMILESCOc1cccc2oc(-c3ccc(Cl)c(Cl)c3)cc(=O)c12
InChIInChI=1S/C16H10Cl2O3/c1-20-13-3-2-4-14-16(13)12(19)8-15(21-14)9-5-6-10(17)11(18)7-9/h2-8H,1H3
InChIKeyIYAPTTHGBGUKOU-UHFFFAOYSA-N
XLogP4.78
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 18761939
2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one
CID 71421837
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 100995351
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 12794885
2-amino-5-methoxychromen-4-one
CID 134860119
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl] acetate
CID 71413141
5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 142743418
5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 147416054
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one
CID 2019413

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-methoxychromen-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-methoxychromen-4-one (CID 10041721) is 2-(3,4-dichlorophenyl)-5-methoxychromen-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-methoxychromen-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-methoxychromen-4-one is COc1cccc2oc(-c3ccc(Cl)c(Cl)c3)cc(=O)c12.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-methoxychromen-4-one?
The InChIKey is IYAPTTHGBGUKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O3/c1-20-13-3-2-4-14-16(13)12(19)8-15(21-14)9-5-6-10(17)11(18)7-9/h2-8H,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-5-methoxychromen-4-one?
2-(3,4-dichlorophenyl)-5-methoxychromen-4-one has a molecular weight of 321.16 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-methoxychromen-4-one is sourced from PubChem (CID 10041721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).