1-bromo-4-(4-phenylmethoxyphenyl)benzene

C19H15BrO — CID 22465773

IUPAC1-bromo-4-(4-phenylmethoxyphenyl)benzene
SMILESBrc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C19H15BrO/c20-18-10-6-16(7-11-18)17-8-12-19(13-9-17)21-14-15-4-2-1-3-5-15/h1-13H,14H2
InChIKeyIOAHVBDYCWBWAR-UHFFFAOYSA-N
MW339.23 g/mol
LogP5.70
Rot. Bonds4

About 1-bromo-4-(4-phenylmethoxyphenyl)benzene

1-bromo-4-(4-phenylmethoxyphenyl)benzene (PubChem CID 22465773) has the molecular formula C19H15BrO and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-bromo-4-(4-phenylmethoxyphenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4-phenylmethoxyphenyl)benzene
PubChem CID22465773
Molecular FormulaC19H15BrO
Molecular Weight339.23 g/mol
Exact Mass338.03
IUPAC Name1-bromo-4-(4-phenylmethoxyphenyl)benzene
SMILESBrc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C19H15BrO/c20-18-10-6-16(7-11-18)17-8-12-19(13-9-17)21-14-15-4-2-1-3-5-15/h1-13H,14H2
InChIKeyIOAHVBDYCWBWAR-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.23
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Bromo-6-methoxynaphthalene
CID 78786
1-(Benzyloxy)-3-bromobenzene
CID 2756638
1-Phenoxy-4-phenylbenzene
CID 77986
1-Bromo-4-phenylmethoxybenzene
CID 138835
1-Bromo-4-[(4-iodophenyl)methoxy]benzene
CID 65479031
1-Bromo-3-[(4-fluorophenyl)methoxy]benzene
CID 2758970
3-Bromo-4-methoxybiphenyl
CID 262267
4-Bromo-4'-methoxybiphenyl
CID 4034005
4'-Bromo-[1,1'-biphenyl]-4-ol acetate
CID 262369
4-[(4-Bromophenyl)methoxy]benzene-1,2-dicarbonitrile
CID 57340731
1-Bromo-4-(phenoxymethyl)benzene
CID 726149
3-{4-[3,3-Bis-(4-bromo-phenyl)-allyloxy]-phenyl}-propionic acid
CID 10186123

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-phenylmethoxyphenyl)benzene?
The IUPAC name of 1-bromo-4-(4-phenylmethoxyphenyl)benzene (CID 22465773) is 1-bromo-4-(4-phenylmethoxyphenyl)benzene.
What is the SMILES notation for 1-bromo-4-(4-phenylmethoxyphenyl)benzene?
The canonical SMILES for 1-bromo-4-(4-phenylmethoxyphenyl)benzene is Brc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-bromo-4-(4-phenylmethoxyphenyl)benzene?
The InChIKey is IOAHVBDYCWBWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO/c20-18-10-6-16(7-11-18)17-8-12-19(13-9-17)21-14-15-4-2-1-3-5-15/h1-13H,14H2.
What are the key properties of 1-bromo-4-(4-phenylmethoxyphenyl)benzene?
1-bromo-4-(4-phenylmethoxyphenyl)benzene has a molecular weight of 339.23 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-phenylmethoxyphenyl)benzene is sourced from PubChem (CID 22465773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).