[2,4-bis(bromomethyl)phenyl]-phenylmethanone

C15H12Br2O — CID 171474668

IUPAC[2,4-bis(bromomethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(CBr)cc1CBr
InChIInChI=1S/C15H12Br2O/c16-9-11-6-7-14(13(8-11)10-17)15(18)12-4-2-1-3-5-12/h1-8H,9-10H2
InChIKeyRNHZUTASFZUNOV-UHFFFAOYSA-N
MW368.07 g/mol
LogP4.71
Rot. Bonds4

About [2,4-bis(bromomethyl)phenyl]-phenylmethanone

[2,4-bis(bromomethyl)phenyl]-phenylmethanone (PubChem CID 171474668) has the molecular formula C15H12Br2O and a molecular weight of 368.07 g/mol. Its IUPAC name is [2,4-bis(bromomethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2,4-bis(bromomethyl)phenyl]-phenylmethanone
PubChem CID171474668
Molecular FormulaC15H12Br2O
Molecular Weight368.07 g/mol
Exact Mass365.93
IUPAC Name[2,4-bis(bromomethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(CBr)cc1CBr
InChIInChI=1S/C15H12Br2O/c16-9-11-6-7-14(13(8-11)10-17)15(18)12-4-2-1-3-5-12/h1-8H,9-10H2
InChIKeyRNHZUTASFZUNOV-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2,4-bis(bromomethyl)phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bromomethylbenzene;diphenylmethanone
CID 159613438
(2,4-dibutylphenyl)-phenylmethanone
CID 154224122
[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone
CID 19742105
[2-(bromomethyl)phenyl]-(3-bromophenyl)methanone
CID 67346438
(4-benzyl-2-hydroxyphenyl)-phenylmethanone
CID 135369978
[2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone
CID 70252178
2-(3-benzoyl-4-hydroxyphenyl)acetic acid
CID 91883998
1,2-bis[3-(bromomethyl)phenyl]ethane-1,2-dione
CID 141311973
2-bromo-1-[4-(bromomethyl)-2-ethylphenyl]propan-1-one
CID 131414644
(5-benzoylfuran-2-yl)-phenylmethanone
CID 22336637
methyl 4-[2-(bromomethyl)benzoyl]benzoate
CID 58257260
1-(3,4-dibenzoylphenyl)ethanone
CID 122398532

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(bromomethyl)phenyl]-phenylmethanone?
The IUPAC name of [2,4-bis(bromomethyl)phenyl]-phenylmethanone (CID 171474668) is [2,4-bis(bromomethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2,4-bis(bromomethyl)phenyl]-phenylmethanone?
The canonical SMILES for [2,4-bis(bromomethyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(CBr)cc1CBr.
What is the InChIKey of [2,4-bis(bromomethyl)phenyl]-phenylmethanone?
The InChIKey is RNHZUTASFZUNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O/c16-9-11-6-7-14(13(8-11)10-17)15(18)12-4-2-1-3-5-12/h1-8H,9-10H2.
What are the key properties of [2,4-bis(bromomethyl)phenyl]-phenylmethanone?
[2,4-bis(bromomethyl)phenyl]-phenylmethanone has a molecular weight of 368.07 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(bromomethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 171474668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).