7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one

C22H15BrO4 — CID 6029612

IUPAC7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCc3ccc(Br)cc3)cc(O)c12
InChIInChI=1S/C22H15BrO4/c23-16-8-6-14(7-9-16)13-26-17-10-18(24)22-19(25)12-20(27-21(22)11-17)15-4-2-1-3-5-15/h1-12,24H,13H2
InChIKeyVLXQRVNNSFTXBU-UHFFFAOYSA-N
MW423.26 g/mol
LogP5.51
Rot. Bonds4

About 7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one

7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one (PubChem CID 6029612) has the molecular formula C22H15BrO4 and a molecular weight of 423.26 g/mol. Its IUPAC name is 7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
PubChem CID6029612
Molecular FormulaC22H15BrO4
Molecular Weight423.26 g/mol
Exact Mass422.02
IUPAC Name7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCc3ccc(Br)cc3)cc(O)c12
InChIInChI=1S/C22H15BrO4/c23-16-8-6-14(7-9-16)13-26-17-10-18(24)22-19(25)12-20(27-21(22)11-17)15-4-2-1-3-5-15/h1-12,24H,13H2
InChIKeyVLXQRVNNSFTXBU-UHFFFAOYSA-N
XLogP5.51
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.26
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one
CID 46898624
5-hydroxy-2-phenyl-7-(3-phenylprop-2-enoxy)chromen-4-one
CID 6802595
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
CID 171061853
7-(4-bromo-2,4-dimethylpentan-2-yl)oxy-5-hydroxy-2-phenylchromen-4-one
CID 91144753
4-bromobutyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
CID 53486698
5-(3-methylbut-2-enoxy)-2-phenyl-7-phenylmethoxychromen-4-one
CID 169002909
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813

Frequently Asked Questions

What is the IUPAC name of 7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one?
The IUPAC name of 7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one (CID 6029612) is 7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one?
The canonical SMILES for 7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(OCc3ccc(Br)cc3)cc(O)c12.
What is the InChIKey of 7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one?
The InChIKey is VLXQRVNNSFTXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrO4/c23-16-8-6-14(7-9-16)13-26-17-10-18(24)22-19(25)12-20(27-21(22)11-17)15-4-2-1-3-5-15/h1-12,24H,13H2.
What are the key properties of 7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one?
7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one has a molecular weight of 423.26 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 6029612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).