7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one

C24H18Cl2O4 — CID 2016693

IUPAC7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one
SMILESCOc1ccc(-c2c(C)oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3c2=O)cc1
InChIInChI=1S/C24H18Cl2O4/c1-14-23(16-4-6-17(28-2)7-5-16)24(27)19-9-8-18(12-22(19)30-14)29-13-15-3-10-20(25)21(26)11-15/h3-12H,13H2,1-2H3
InChIKeyIQRHTWMFDWYSGT-UHFFFAOYSA-N
MW441.31 g/mol
LogP6.66
Rot. Bonds5

About 7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one

7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one (PubChem CID 2016693) has the molecular formula C24H18Cl2O4 and a molecular weight of 441.31 g/mol. Its IUPAC name is 7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one.

Molecular Properties

Compound Name7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one
PubChem CID2016693
Molecular FormulaC24H18Cl2O4
Molecular Weight441.31 g/mol
Exact Mass440.06
IUPAC Name7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one
SMILESCOc1ccc(-c2c(C)oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3c2=O)cc1
InChIInChI=1S/C24H18Cl2O4/c1-14-23(16-4-6-17(28-2)7-5-16)24(27)19-9-8-18(12-22(19)30-14)29-13-15-3-10-20(25)21(26)11-15/h3-12H,13H2,1-2H3
InChIKeyIQRHTWMFDWYSGT-UHFFFAOYSA-N
XLogP6.66
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.31
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one
CID 5025590
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one
CID 2007357
7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
CID 44963440
3-(4-bromophenyl)-7-[(2-chlorophenyl)methoxy]-2-methylchromen-4-one
CID 4627336
3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one
CID 44963741
3-(4-bromophenyl)-7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-methylchromen-4-one
CID 163167473
3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one
CID 4627849
7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one
CID 2018267
7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one
CID 30766438
6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one
CID 13443565
1-[(2R)-2-hydroxy-3-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxypropyl]piperidin-1-ium-4-carboxamide
CID 2345881

Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one?
The IUPAC name of 7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one (CID 2016693) is 7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one.
What is the SMILES notation for 7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one?
The canonical SMILES for 7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one is COc1ccc(-c2c(C)oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3c2=O)cc1.
What is the InChIKey of 7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one?
The InChIKey is IQRHTWMFDWYSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2O4/c1-14-23(16-4-6-17(28-2)7-5-16)24(27)19-9-8-18(12-22(19)30-14)29-13-15-3-10-20(25)21(26)11-15/h3-12H,13H2,1-2H3.
What are the key properties of 7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one?
7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one has a molecular weight of 441.31 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one is sourced from PubChem (CID 2016693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).