2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one

C23H15Cl2IO5 — CID 56838067

IUPAC2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one
SMILESO=c1cc(OCc2ccc(I)c(Cl)c2)oc2ccc(OCc3cccc(Cl)c3)c(O)c12
InChIInChI=1S/C23H15Cl2IO5/c24-15-3-1-2-13(8-15)11-29-20-7-6-19-22(23(20)28)18(27)10-21(31-19)30-12-14-4-5-17(26)16(25)9-14/h1-10,28H,11-12H2
InChIKeyQBJBEBGOLYZJJI-UHFFFAOYSA-N
MW569.18 g/mol
LogP6.57
Rot. Bonds6

About 2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one

2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one (PubChem CID 56838067) has the molecular formula C23H15Cl2IO5 and a molecular weight of 569.18 g/mol. Its IUPAC name is 2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one.

Molecular Properties

Compound Name2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one
PubChem CID56838067
Molecular FormulaC23H15Cl2IO5
Molecular Weight569.18 g/mol
Exact Mass567.93
IUPAC Name2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one
SMILESO=c1cc(OCc2ccc(I)c(Cl)c2)oc2ccc(OCc3cccc(Cl)c3)c(O)c12
InChIInChI=1S/C23H15Cl2IO5/c24-15-3-1-2-13(8-15)11-29-20-7-6-19-22(23(20)28)18(27)10-21(31-19)30-12-14-4-5-17(26)16(25)9-14/h1-10,28H,11-12H2
InChIKeyQBJBEBGOLYZJJI-UHFFFAOYSA-N
XLogP6.57
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.18
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one
CID 56838064
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
4-[(3-chlorophenyl)methoxy]-3-iodoaniline
CID 66095443
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
CID 8707027
6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one
CID 71592769
3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide
CID 43342289
2-(aminomethyl)-5-[(3-chlorophenyl)methoxy]pyran-4-one
CID 82064016
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121126
7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one
CID 969830

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one?
The IUPAC name of 2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one (CID 56838067) is 2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one.
What is the SMILES notation for 2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one?
The canonical SMILES for 2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one is O=c1cc(OCc2ccc(I)c(Cl)c2)oc2ccc(OCc3cccc(Cl)c3)c(O)c12.
What is the InChIKey of 2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one?
The InChIKey is QBJBEBGOLYZJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2IO5/c24-15-3-1-2-13(8-15)11-29-20-7-6-19-22(23(20)28)18(27)10-21(31-19)30-12-14-4-5-17(26)16(25)9-14/h1-10,28H,11-12H2.
What are the key properties of 2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one?
2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one has a molecular weight of 569.18 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one is sourced from PubChem (CID 56838067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).