2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol

C25H20Br2O2 — CID 158310108

IUPAC2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol
SMILESCOc1ccc(-c2ccccc2)cc1Br.Oc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C13H11BrO.C12H9BrO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10;13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h2-9H,1H3;1-8,14H
InChIKeyGNOPSHLWWJFTCA-UHFFFAOYSA-N
MW512.24 g/mol
LogP7.95
Rot. Bonds3

About 2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol

2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol (PubChem CID 158310108) has the molecular formula C25H20Br2O2 and a molecular weight of 512.24 g/mol. Its IUPAC name is 2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol.

Molecular Properties

Compound Name2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol
PubChem CID158310108
Molecular FormulaC25H20Br2O2
Molecular Weight512.24 g/mol
Exact Mass509.98
IUPAC Name2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol
SMILESCOc1ccc(-c2ccccc2)cc1Br.Oc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C13H11BrO.C12H9BrO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10;13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h2-9H,1H3;1-8,14H
InChIKeyGNOPSHLWWJFTCA-UHFFFAOYSA-N
XLogP7.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.24
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(4-methoxyphenyl)phenol
CID 11492848
4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
CID 57313510
(2-methoxyphenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012554
(2-bromo-4-phenylphenyl) sulfamate
CID 23508489
(2-bromo-4-phenylphenyl) 3-(3,4-dimethoxyphenyl)propanoate
CID 19220763
2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 19190177
(2-methoxy-5-phenylanilino)azanium chloride
CID 11368724
(2-bromo-4-phenylphenyl) 2-methylbenzoate
CID 4960503
2,3-dimethoxy-5-phenylphenol
CID 135042969
2-(3-bromo-4-methoxyphenyl)-5-tert-butyl-1,3-diphenylbenzene;5-tert-butyl-2-(4-methoxyphenyl)-1,3-diphenylbenzene
CID 163444820
3-(2-hydroxy-5-phenylphenyl)-7-methoxy-2,3-dihydro-1H-inden-4-ol
CID 134510351
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol?
The IUPAC name of 2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol (CID 158310108) is 2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol.
What is the SMILES notation for 2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol?
The canonical SMILES for 2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol is COc1ccc(-c2ccccc2)cc1Br.Oc1ccc(-c2ccccc2)cc1Br.
What is the InChIKey of 2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol?
The InChIKey is GNOPSHLWWJFTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO.C12H9BrO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10;13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h2-9H,1H3;1-8,14H.
What are the key properties of 2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol?
2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol has a molecular weight of 512.24 g/mol, XLogP of 7.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol is sourced from PubChem (CID 158310108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).