2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone

C15H12Br2O2 — CID 67899293

IUPAC2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone
SMILESO=C(COc1ccc(CBr)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12Br2O2/c16-9-11-1-7-14(8-2-11)19-10-15(18)12-3-5-13(17)6-4-12/h1-8H,9-10H2
InChIKeyLQRAADIDGXNZIT-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.61
Rot. Bonds5

About 2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone

2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone (PubChem CID 67899293) has the molecular formula C15H12Br2O2 and a molecular weight of 384.07 g/mol. Its IUPAC name is 2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone
PubChem CID67899293
Molecular FormulaC15H12Br2O2
Molecular Weight384.07 g/mol
Exact Mass381.92
IUPAC Name2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone
SMILESO=C(COc1ccc(CBr)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12Br2O2/c16-9-11-1-7-14(8-2-11)19-10-15(18)12-3-5-13(17)6-4-12/h1-8H,9-10H2
InChIKeyLQRAADIDGXNZIT-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
CID 107709231
2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide
CID 38113386
1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone
CID 4309178
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623791
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone
CID 59341202
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 60659477

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone?
The IUPAC name of 2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone (CID 67899293) is 2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone?
The canonical SMILES for 2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone is O=C(COc1ccc(CBr)cc1)c1ccc(Br)cc1.
What is the InChIKey of 2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone?
The InChIKey is LQRAADIDGXNZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O2/c16-9-11-1-7-14(8-2-11)19-10-15(18)12-3-5-13(17)6-4-12/h1-8H,9-10H2.
What are the key properties of 2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone?
2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone has a molecular weight of 384.07 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone is sourced from PubChem (CID 67899293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).