1-bromo-4-phenoxy-2-(phenoxymethyl)benzene

C19H15BrO2 — CID 139707476

IUPAC1-bromo-4-phenoxy-2-(phenoxymethyl)benzene
SMILESBrc1ccc(Oc2ccccc2)cc1COc1ccccc1
InChIInChI=1S/C19H15BrO2/c20-19-12-11-18(22-17-9-5-2-6-10-17)13-15(19)14-21-16-7-3-1-4-8-16/h1-13H,14H2
InChIKeyIBVKOGUNVPHWOH-UHFFFAOYSA-N
MW355.23 g/mol
LogP5.82
Rot. Bonds5

About 1-bromo-4-phenoxy-2-(phenoxymethyl)benzene

1-bromo-4-phenoxy-2-(phenoxymethyl)benzene (PubChem CID 139707476) has the molecular formula C19H15BrO2 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-bromo-4-phenoxy-2-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-phenoxy-2-(phenoxymethyl)benzene
PubChem CID139707476
Molecular FormulaC19H15BrO2
Molecular Weight355.23 g/mol
Exact Mass354.03
IUPAC Name1-bromo-4-phenoxy-2-(phenoxymethyl)benzene
SMILESBrc1ccc(Oc2ccccc2)cc1COc1ccccc1
InChIInChI=1S/C19H15BrO2/c20-19-12-11-18(22-17-9-5-2-6-10-17)13-15(19)14-21-16-7-3-1-4-8-16/h1-13H,14H2
InChIKeyIBVKOGUNVPHWOH-UHFFFAOYSA-N
XLogP5.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.23
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44818238
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CID 59297150
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-(4-fluorophenoxy)benzene
CID 67351742
1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene
CID 134102081
1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene
CID 67434406
4-[(2-bromophenyl)methoxy]phenol
CID 43143380
1-bromo-4-phenylmethoxy-2-propylbenzene
CID 58754092
2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene
CID 15924332
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
2-(bromomethyl)-1-chloro-4-phenoxybenzene
CID 23313954
1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene
CID 65326137
1-bromo-2-[4-methyl-4-(4-methylphenyl)pentyl]-4-phenoxybenzene
CID 21269736

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-phenoxy-2-(phenoxymethyl)benzene?
The IUPAC name of 1-bromo-4-phenoxy-2-(phenoxymethyl)benzene (CID 139707476) is 1-bromo-4-phenoxy-2-(phenoxymethyl)benzene.
What is the SMILES notation for 1-bromo-4-phenoxy-2-(phenoxymethyl)benzene?
The canonical SMILES for 1-bromo-4-phenoxy-2-(phenoxymethyl)benzene is Brc1ccc(Oc2ccccc2)cc1COc1ccccc1.
What is the InChIKey of 1-bromo-4-phenoxy-2-(phenoxymethyl)benzene?
The InChIKey is IBVKOGUNVPHWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO2/c20-19-12-11-18(22-17-9-5-2-6-10-17)13-15(19)14-21-16-7-3-1-4-8-16/h1-13H,14H2.
What are the key properties of 1-bromo-4-phenoxy-2-(phenoxymethyl)benzene?
1-bromo-4-phenoxy-2-(phenoxymethyl)benzene has a molecular weight of 355.23 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-phenoxy-2-(phenoxymethyl)benzene is sourced from PubChem (CID 139707476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).