6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one

C22H13Cl3O3 — CID 21000206

IUPAC6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
SMILESO=c1c(OCc2ccc(Cl)cc2Cl)c(-c2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C22H13Cl3O3/c23-15-8-9-19-17(10-15)20(26)22(21(28-19)13-4-2-1-3-5-13)27-12-14-6-7-16(24)11-18(14)25/h1-11H,12H2
InChIKeyWHUUYVRVYDWXQX-UHFFFAOYSA-N
MW431.70 g/mol
LogP7.00
Rot. Bonds4

About 6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one

6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one (PubChem CID 21000206) has the molecular formula C22H13Cl3O3 and a molecular weight of 431.70 g/mol. Its IUPAC name is 6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
PubChem CID21000206
Molecular FormulaC22H13Cl3O3
Molecular Weight431.70 g/mol
Exact Mass429.99
IUPAC Name6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
SMILESO=c1c(OCc2ccc(Cl)cc2Cl)c(-c2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C22H13Cl3O3/c23-15-8-9-19-17(10-15)20(26)22(21(28-19)13-4-2-1-3-5-13)27-12-14-6-7-16(24)11-18(14)25/h1-11H,12H2
InChIKeyWHUUYVRVYDWXQX-UHFFFAOYSA-N
XLogP7.00
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.70
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746679
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
3-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 7746624
6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one
CID 102287336
5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide
CID 175508448
6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
6-chloro-3-[3-(4-methylphenoxy)propoxy]-2-phenylchromen-4-one
CID 7746607
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603
2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate
CID 7746637
5-[[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylic acid
CID 21000428
methyl (E)-4-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxybut-2-enoate
CID 101197009

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one?
The IUPAC name of 6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one (CID 21000206) is 6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one?
The canonical SMILES for 6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one is O=c1c(OCc2ccc(Cl)cc2Cl)c(-c2ccccc2)oc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one?
The InChIKey is WHUUYVRVYDWXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl3O3/c23-15-8-9-19-17(10-15)20(26)22(21(28-19)13-4-2-1-3-5-13)27-12-14-6-7-16(24)11-18(14)25/h1-11H,12H2.
What are the key properties of 6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one?
6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one has a molecular weight of 431.70 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 21000206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).