1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene

C20H17BrO2 — CID 67395522

IUPAC1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene
SMILESBrc1cccc(COCc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C20H17BrO2/c21-18-8-4-6-16(12-18)14-22-15-17-7-5-11-20(13-17)23-19-9-2-1-3-10-19/h1-13H,14-15H2
InChIKeyODFZJDXBKPEXOM-UHFFFAOYSA-N
MW369.26 g/mol
LogP5.96
Rot. Bonds6

About 1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene

1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene (PubChem CID 67395522) has the molecular formula C20H17BrO2 and a molecular weight of 369.26 g/mol. Its IUPAC name is 1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene
PubChem CID67395522
Molecular FormulaC20H17BrO2
Molecular Weight369.26 g/mol
Exact Mass368.04
IUPAC Name1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene
SMILESBrc1cccc(COCc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C20H17BrO2/c21-18-8-4-6-16(12-18)14-22-15-17-7-5-11-20(13-17)23-19-9-2-1-3-10-19/h1-13H,14-15H2
InChIKeyODFZJDXBKPEXOM-UHFFFAOYSA-N
XLogP5.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44818238
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[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
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1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345017
1-phenoxy-3-(4,4,4-trifluorobutoxymethyl)benzene
CID 70229700
CID 163958367
CID 163958367
(3-phenoxyphenyl)methylphosphane
CID 70930904
1-bromo-3-(propoxymethyl)benzene
CID 57057286
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid
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(3-phenoxyphenyl)methyl 2-(4-bromophenoxy)-3-methylbutanoate
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene?
The IUPAC name of 1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene (CID 67395522) is 1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene.
What is the SMILES notation for 1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene?
The canonical SMILES for 1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene is Brc1cccc(COCc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene?
The InChIKey is ODFZJDXBKPEXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrO2/c21-18-8-4-6-16(12-18)14-22-15-17-7-5-11-20(13-17)23-19-9-2-1-3-10-19/h1-13H,14-15H2.
What are the key properties of 1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene?
1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene has a molecular weight of 369.26 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene is sourced from PubChem (CID 67395522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).