1-bromo-3-(4-phenylmethoxyphenoxy)benzene

C19H15BrO2 — CID 44818238

IUPAC1-bromo-3-(4-phenylmethoxyphenoxy)benzene
SMILESBrc1cccc(Oc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C19H15BrO2/c20-16-7-4-8-19(13-16)22-18-11-9-17(10-12-18)21-14-15-5-2-1-3-6-15/h1-13H,14H2
InChIKeyMACGRMHDSWKIQF-UHFFFAOYSA-N
MW355.23 g/mol
LogP5.82
Rot. Bonds5

About 1-bromo-3-(4-phenylmethoxyphenoxy)benzene

1-bromo-3-(4-phenylmethoxyphenoxy)benzene (PubChem CID 44818238) has the molecular formula C19H15BrO2 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-bromo-3-(4-phenylmethoxyphenoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(4-phenylmethoxyphenoxy)benzene
PubChem CID44818238
Molecular FormulaC19H15BrO2
Molecular Weight355.23 g/mol
Exact Mass354.03
IUPAC Name1-bromo-3-(4-phenylmethoxyphenoxy)benzene
SMILESBrc1cccc(Oc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C19H15BrO2/c20-16-7-4-8-19(13-16)22-18-11-9-17(10-12-18)21-14-15-5-2-1-3-6-15/h1-13H,14H2
InChIKeyMACGRMHDSWKIQF-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

1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene
CID 67395522
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene
CID 12765877
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
2-bromo-6-phenylmethoxynaphthalene
CID 640595
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117695
2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene
CID 15924332
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
1-bromo-4-phenoxy-2-(phenoxymethyl)benzene
CID 139707476
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(4-phenylmethoxyphenoxy)benzene?
The IUPAC name of 1-bromo-3-(4-phenylmethoxyphenoxy)benzene (CID 44818238) is 1-bromo-3-(4-phenylmethoxyphenoxy)benzene.
What is the SMILES notation for 1-bromo-3-(4-phenylmethoxyphenoxy)benzene?
The canonical SMILES for 1-bromo-3-(4-phenylmethoxyphenoxy)benzene is Brc1cccc(Oc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 1-bromo-3-(4-phenylmethoxyphenoxy)benzene?
The InChIKey is MACGRMHDSWKIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO2/c20-16-7-4-8-19(13-16)22-18-11-9-17(10-12-18)21-14-15-5-2-1-3-6-15/h1-13H,14H2.
What are the key properties of 1-bromo-3-(4-phenylmethoxyphenoxy)benzene?
1-bromo-3-(4-phenylmethoxyphenoxy)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-3-(4-phenylmethoxyphenoxy)benzene is sourced from PubChem (CID 44818238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).