1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene

C16H16BrClO — CID 102941003

IUPAC1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene
SMILESClCC(COCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C16H16BrClO/c17-16-9-5-4-8-15(16)14(10-18)12-19-11-13-6-2-1-3-7-13/h1-9,14H,10-12H2
InChIKeyWGWPPMMYSUUONQ-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.99
Rot. Bonds6

About 1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene

1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene (PubChem CID 102941003) has the molecular formula C16H16BrClO and a molecular weight of 339.66 g/mol. Its IUPAC name is 1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene
PubChem CID102941003
Molecular FormulaC16H16BrClO
Molecular Weight339.66 g/mol
Exact Mass338.01
IUPAC Name1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene
SMILESClCC(COCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C16H16BrClO/c17-16-9-5-4-8-15(16)14(10-18)12-19-11-13-6-2-1-3-7-13/h1-9,14H,10-12H2
InChIKeyWGWPPMMYSUUONQ-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene 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

1-(1-chloro-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 102940982
[(2R)-3-chloro-2-fluoropropoxy]methylbenzene
CID 69067716
1-(4-bromothiophen-3-yl)-2-phenylmethoxyethanamine
CID 131025395
2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940597
1-(1-bromo-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 102940983
2,2-dibromoethoxymethylbenzene
CID 14668834
1-bromo-2-[1-chloro-3-(3-chlorophenyl)propan-2-yl]benzene
CID 79454332
[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane
CID 71446134
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
[2-(chloromethylsulfanyl)-3-phenylmethoxypropoxy]methylbenzene
CID 15612776
2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine
CID 102940584
2,3-difluoropropoxymethylbenzene
CID 86233522

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene?
The IUPAC name of 1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene (CID 102941003) is 1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene.
What is the SMILES notation for 1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene?
The canonical SMILES for 1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene is ClCC(COCc1ccccc1)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene?
The InChIKey is WGWPPMMYSUUONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO/c17-16-9-5-4-8-15(16)14(10-18)12-19-11-13-6-2-1-3-7-13/h1-9,14H,10-12H2.
What are the key properties of 1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene?
1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene has a molecular weight of 339.66 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene is sourced from PubChem (CID 102941003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).