(3-bromo-2-phenylmethoxyphenyl)-phenylmethanone

C20H15BrO2 — CID 58238538

IUPAC(3-bromo-2-phenylmethoxyphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(Br)c1OCc1ccccc1
InChIInChI=1S/C20H15BrO2/c21-18-13-7-12-17(19(22)16-10-5-2-6-11-16)20(18)23-14-15-8-3-1-4-9-15/h1-13H,14H2
InChIKeyNGXPMOBMBUEVIY-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.26
Rot. Bonds5

About (3-bromo-2-phenylmethoxyphenyl)-phenylmethanone

(3-bromo-2-phenylmethoxyphenyl)-phenylmethanone (PubChem CID 58238538) has the molecular formula C20H15BrO2 and a molecular weight of 367.24 g/mol. Its IUPAC name is (3-bromo-2-phenylmethoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-bromo-2-phenylmethoxyphenyl)-phenylmethanone
PubChem CID58238538
Molecular FormulaC20H15BrO2
Molecular Weight367.24 g/mol
Exact Mass366.03
IUPAC Name(3-bromo-2-phenylmethoxyphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(Br)c1OCc1ccccc1
InChIInChI=1S/C20H15BrO2/c21-18-13-7-12-17(19(22)16-10-5-2-6-11-16)20(18)23-14-15-8-3-1-4-9-15/h1-13H,14H2
InChIKeyNGXPMOBMBUEVIY-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-bromo-2-phenylmethoxyphenyl)-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

3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid
CID 65478431
3-(3-bromo-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 76899319
3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 61391310
(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone
CID 14903626
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
2-phenylmethoxy-3-prop-1-enylbenzoic acid
CID 71318162
3-bromo-2-[(2-methylphenyl)methoxy]benzoic acid
CID 61391214
(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 91799383
4-bromo-2-nitro-3-phenylmethoxybenzoic acid
CID 163304371
2-(3-bromo-2-phenylmethoxyphenyl)pyridine
CID 151807224
4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane
CID 145157389
[3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone
CID 68911244

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-phenylmethoxyphenyl)-phenylmethanone?
The IUPAC name of (3-bromo-2-phenylmethoxyphenyl)-phenylmethanone (CID 58238538) is (3-bromo-2-phenylmethoxyphenyl)-phenylmethanone.
What is the SMILES notation for (3-bromo-2-phenylmethoxyphenyl)-phenylmethanone?
The canonical SMILES for (3-bromo-2-phenylmethoxyphenyl)-phenylmethanone is O=C(c1ccccc1)c1cccc(Br)c1OCc1ccccc1.
What is the InChIKey of (3-bromo-2-phenylmethoxyphenyl)-phenylmethanone?
The InChIKey is NGXPMOBMBUEVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO2/c21-18-13-7-12-17(19(22)16-10-5-2-6-11-16)20(18)23-14-15-8-3-1-4-9-15/h1-13H,14H2.
What are the key properties of (3-bromo-2-phenylmethoxyphenyl)-phenylmethanone?
(3-bromo-2-phenylmethoxyphenyl)-phenylmethanone has a molecular weight of 367.24 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-phenylmethoxyphenyl)-phenylmethanone is sourced from PubChem (CID 58238538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).