7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol

C22H17BrO3 — CID 23737528

IUPAC7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol
SMILESOC1C=C(c2ccccc2)c2ccc(OCc3ccc(Br)cc3)cc2O1
InChIInChI=1S/C22H17BrO3/c23-17-8-6-15(7-9-17)14-25-18-10-11-19-20(16-4-2-1-3-5-16)13-22(24)26-21(19)12-18/h1-13,22,24H,14H2
InChIKeyDXQOAVCERBQSRE-UHFFFAOYSA-N
MW409.28 g/mol
LogP5.17
Rot. Bonds4

About 7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol

7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol (PubChem CID 23737528) has the molecular formula C22H17BrO3 and a molecular weight of 409.28 g/mol. Its IUPAC name is 7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol.

Molecular Properties

Compound Name7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol
PubChem CID23737528
Molecular FormulaC22H17BrO3
Molecular Weight409.28 g/mol
Exact Mass408.04
IUPAC Name7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol
SMILESOC1C=C(c2ccccc2)c2ccc(OCc3ccc(Br)cc3)cc2O1
InChIInChI=1S/C22H17BrO3/c23-17-8-6-15(7-9-17)14-25-18-10-11-19-20(16-4-2-1-3-5-16)13-22(24)26-21(19)12-18/h1-13,22,24H,14H2
InChIKeyDXQOAVCERBQSRE-UHFFFAOYSA-N
XLogP5.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.28
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene
CID 170728384
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
2-phenyl-5-phenylmethoxyphenol
CID 123808909
4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene
CID 170728358
4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene
CID 126702173
5-[(4-bromophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
CID 1185464
2-bromo-6-phenylmethoxynaphthalene
CID 640595
2-(4-bromophenyl)-6-phenylmethoxy-1,4-benzoxathiine
CID 71427811
4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol
CID 90887876
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one
CID 4522752
2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
CID 82824687

Frequently Asked Questions

What is the IUPAC name of 7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol?
The IUPAC name of 7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol (CID 23737528) is 7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol.
What is the SMILES notation for 7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol?
The canonical SMILES for 7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol is OC1C=C(c2ccccc2)c2ccc(OCc3ccc(Br)cc3)cc2O1.
What is the InChIKey of 7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol?
The InChIKey is DXQOAVCERBQSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrO3/c23-17-8-6-15(7-9-17)14-25-18-10-11-19-20(16-4-2-1-3-5-16)13-22(24)26-21(19)12-18/h1-13,22,24H,14H2.
What are the key properties of 7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol?
7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol has a molecular weight of 409.28 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol is sourced from PubChem (CID 23737528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).