1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene

C14H12BrClO — CID 65125960

IUPAC1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
SMILESClc1ccc(COCc2cccc(Br)c2)cc1
InChIInChI=1S/C14H12BrClO/c15-13-3-1-2-12(8-13)10-17-9-11-4-6-14(16)7-5-11/h1-8H,9-10H2
InChIKeyAJDMAQJDVFWNCI-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.82
Rot. Bonds4

About 1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene

1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene (PubChem CID 65125960) has the molecular formula C14H12BrClO and a molecular weight of 311.61 g/mol. Its IUPAC name is 1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
PubChem CID65125960
Molecular FormulaC14H12BrClO
Molecular Weight311.61 g/mol
Exact Mass309.98
IUPAC Name1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
SMILESClc1ccc(COCc2cccc(Br)c2)cc1
InChIInChI=1S/C14H12BrClO/c15-13-3-1-2-12(8-13)10-17-9-11-4-6-14(16)7-5-11/h1-8H,9-10H2
InChIKeyAJDMAQJDVFWNCI-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid
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[4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine
CID 102663616
1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126287
N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
CID 82807557
1-bromo-3-(3-chloropropoxymethyl)benzene
CID 82828412
1-bromo-3-(propoxymethyl)benzene
CID 57057286
1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene
CID 67395522
4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene
CID 82824688
4-[4-[(3-bromophenyl)methoxymethyl]phenyl]but-3-yn-1-ol
CID 82806536
4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene
CID 113471414

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene?
The IUPAC name of 1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene (CID 65125960) is 1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene.
What is the SMILES notation for 1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene?
The canonical SMILES for 1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene is Clc1ccc(COCc2cccc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene?
The InChIKey is AJDMAQJDVFWNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO/c15-13-3-1-2-12(8-13)10-17-9-11-4-6-14(16)7-5-11/h1-8H,9-10H2.
What are the key properties of 1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene?
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene has a molecular weight of 311.61 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene is sourced from PubChem (CID 65125960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).