6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one

C23H16Cl2O3 — CID 7747823

IUPAC6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one
SMILESCc1cccc(COc2c(-c3ccccc3)oc3c(Cl)cc(Cl)cc3c2=O)c1
InChIInChI=1S/C23H16Cl2O3/c1-14-6-5-7-15(10-14)13-27-23-20(26)18-11-17(24)12-19(25)22(18)28-21(23)16-8-3-2-4-9-16/h2-12H,13H2,1H3
InChIKeyVJTACFUITVJMQG-UHFFFAOYSA-N
MW411.28 g/mol
LogP6.65
Rot. Bonds4

About 6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one

6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one (PubChem CID 7747823) has the molecular formula C23H16Cl2O3 and a molecular weight of 411.28 g/mol. Its IUPAC name is 6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one
PubChem CID7747823
Molecular FormulaC23H16Cl2O3
Molecular Weight411.28 g/mol
Exact Mass410.05
IUPAC Name6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one
SMILESCc1cccc(COc2c(-c3ccccc3)oc3c(Cl)cc(Cl)cc3c2=O)c1
InChIInChI=1S/C23H16Cl2O3/c1-14-6-5-7-15(10-14)13-27-23-20(26)18-11-17(24)12-19(25)22(18)28-21(23)16-8-3-2-4-9-16/h2-12H,13H2,1H3
InChIKeyVJTACFUITVJMQG-UHFFFAOYSA-N
XLogP6.65
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.28
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 21001716
ethyl 4-[(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 21001647
2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 7747825
2-(3-methylphenyl)-3-phenylmethoxychromen-4-one
CID 175470082
(2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid
CID 7747832
N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 21001674
2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 7742670
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603
methyl 3-[[2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetyl]amino]benzoate
CID 21001683
3-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 7746624
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 1413285

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one?
The IUPAC name of 6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one (CID 7747823) is 6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one?
The canonical SMILES for 6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one is Cc1cccc(COc2c(-c3ccccc3)oc3c(Cl)cc(Cl)cc3c2=O)c1.
What is the InChIKey of 6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one?
The InChIKey is VJTACFUITVJMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2O3/c1-14-6-5-7-15(10-14)13-27-23-20(26)18-11-17(24)12-19(25)22(18)28-21(23)16-8-3-2-4-9-16/h2-12H,13H2,1H3.
What are the key properties of 6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one?
6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one has a molecular weight of 411.28 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 7747823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).