2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one

C24H17Cl3O3 — CID 20999641

IUPAC2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3ccccc3Cl)c(OCc3ccc(Cl)c(Cl)c3)c(=O)c2cc1C
InChIInChI=1S/C24H17Cl3O3/c1-13-9-17-21(10-14(13)2)30-23(16-5-3-4-6-18(16)25)24(22(17)28)29-12-15-7-8-19(26)20(27)11-15/h3-11H,12H2,1-2H3
InChIKeyNTMGICQWZMKCBN-UHFFFAOYSA-N
MW459.76 g/mol
LogP7.62
Rot. Bonds4

About 2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one

2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one (PubChem CID 20999641) has the molecular formula C24H17Cl3O3 and a molecular weight of 459.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one
PubChem CID20999641
Molecular FormulaC24H17Cl3O3
Molecular Weight459.76 g/mol
Exact Mass458.02
IUPAC Name2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3ccccc3Cl)c(OCc3ccc(Cl)c(Cl)c3)c(=O)c2cc1C
InChIInChI=1S/C24H17Cl3O3/c1-13-9-17-21(10-14(13)2)30-23(16-5-3-4-6-18(16)25)24(22(17)28)29-12-15-7-8-19(26)20(27)11-15/h3-11H,12H2,1-2H3
InChIKeyNTMGICQWZMKCBN-UHFFFAOYSA-N
XLogP7.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.76
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 7742670
3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 7742926
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 7742654
ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742658
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999721
[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl] furan-2-carboxylate
CID 7742643
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide
CID 20999683
2-(4-tert-butylphenyl)-3-[(3-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999553
3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999766
3-[(4-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999860
3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999859

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one?
The IUPAC name of 2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one (CID 20999641) is 2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one is Cc1cc2oc(-c3ccccc3Cl)c(OCc3ccc(Cl)c(Cl)c3)c(=O)c2cc1C.
What is the InChIKey of 2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one?
The InChIKey is NTMGICQWZMKCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl3O3/c1-13-9-17-21(10-14(13)2)30-23(16-5-3-4-6-18(16)25)24(22(17)28)29-12-15-7-8-19(26)20(27)11-15/h3-11H,12H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one?
2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one has a molecular weight of 459.76 g/mol, XLogP of 7.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one is sourced from PubChem (CID 20999641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).