[2-(bromomethyl)phenyl]-(3-bromophenyl)methanone

C14H10Br2O — CID 67346438

IUPAC[2-(bromomethyl)phenyl]-(3-bromophenyl)methanone
SMILESO=C(c1cccc(Br)c1)c1ccccc1CBr
InChIInChI=1S/C14H10Br2O/c15-9-11-4-1-2-7-13(11)14(17)10-5-3-6-12(16)8-10/h1-8H,9H2
InChIKeyAFAFQTJTVLMFJP-UHFFFAOYSA-N
MW354.04 g/mol
LogP4.57
Rot. Bonds3

About [2-(bromomethyl)phenyl]-(3-bromophenyl)methanone

[2-(bromomethyl)phenyl]-(3-bromophenyl)methanone (PubChem CID 67346438) has the molecular formula C14H10Br2O and a molecular weight of 354.04 g/mol. Its IUPAC name is [2-(bromomethyl)phenyl]-(3-bromophenyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)phenyl]-(3-bromophenyl)methanone
PubChem CID67346438
Molecular FormulaC14H10Br2O
Molecular Weight354.04 g/mol
Exact Mass351.91
IUPAC Name[2-(bromomethyl)phenyl]-(3-bromophenyl)methanone
SMILESO=C(c1cccc(Br)c1)c1ccccc1CBr
InChIInChI=1S/C14H10Br2O/c15-9-11-4-1-2-7-13(11)14(17)10-5-3-6-12(16)8-10/h1-8H,9H2
InChIKeyAFAFQTJTVLMFJP-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.04
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
CID 24725532
(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725191
2-bromo-N-[2-(3-bromobenzoyl)phenyl]acetamide
CID 150212976
(3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 81467352
methyl 4-[2-(bromomethyl)benzoyl]benzoate
CID 58257260
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
[2,4-bis(bromomethyl)phenyl]-phenylmethanone
CID 171474668
(3-bromophenyl)-(4-bromothiophen-3-yl)methanone
CID 10831406
1-[2-(bromomethyl)phenyl]propan-1-one
CID 68951080
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
[2-amino-3-(trifluoromethyl)phenyl]-(3-bromophenyl)methanone
CID 68669697
(3-bromophenyl)-(1H-indol-7-yl)methanone
CID 175674927

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)phenyl]-(3-bromophenyl)methanone?
The IUPAC name of [2-(bromomethyl)phenyl]-(3-bromophenyl)methanone (CID 67346438) is [2-(bromomethyl)phenyl]-(3-bromophenyl)methanone.
What is the SMILES notation for [2-(bromomethyl)phenyl]-(3-bromophenyl)methanone?
The canonical SMILES for [2-(bromomethyl)phenyl]-(3-bromophenyl)methanone is O=C(c1cccc(Br)c1)c1ccccc1CBr.
What is the InChIKey of [2-(bromomethyl)phenyl]-(3-bromophenyl)methanone?
The InChIKey is AFAFQTJTVLMFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O/c15-9-11-4-1-2-7-13(11)14(17)10-5-3-6-12(16)8-10/h1-8H,9H2.
What are the key properties of [2-(bromomethyl)phenyl]-(3-bromophenyl)methanone?
[2-(bromomethyl)phenyl]-(3-bromophenyl)methanone has a molecular weight of 354.04 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)phenyl]-(3-bromophenyl)methanone is sourced from PubChem (CID 67346438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).