2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one

C16H14Cl2O2 — CID 13184442

IUPAC2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one
SMILESCOC(c1ccccc1)C(Cl)(Cl)C(=O)c1ccccc1
InChIInChI=1S/C16H14Cl2O2/c1-20-15(13-10-6-3-7-11-13)16(17,18)14(19)12-8-4-2-5-9-12/h2-11,15H,1H3
InChIKeyNTSRMWBXIPVKST-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.43
Rot. Bonds5

About 2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one

2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one (PubChem CID 13184442) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one
PubChem CID13184442
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one
SMILESCOC(c1ccccc1)C(Cl)(Cl)C(=O)c1ccccc1
InChIInChI=1S/C16H14Cl2O2/c1-20-15(13-10-6-3-7-11-13)16(17,18)14(19)12-8-4-2-5-9-12/h2-11,15H,1H3
InChIKeyNTSRMWBXIPVKST-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.43
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

3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
4-methoxy-3,3-dimethyl-4-phenylbutan-2-one
CID 10420523
2-chloro-2-methoxy-1-phenylpropan-1-one
CID 89336045
2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one
CID 122206427
2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione
CID 641430
(2,2,2-trifluoro-1-methoxyethyl)benzene
CID 15275027
tert-butyl (2S,3S)-2-bromo-3-methoxy-2-methyl-3-phenylpropanoate
CID 10664094
CID 59883683
CID 59883683
(2-bromo-2,2-difluoro-1-methoxyethyl)benzene
CID 165349696
[(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate
CID 15182984
(3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol
CID 14871890
(2,2,2-trichloro-1-phenylethyl) 2-phenylpropanoate
CID 174577634

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one?
The IUPAC name of 2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one (CID 13184442) is 2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one.
What is the SMILES notation for 2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one?
The canonical SMILES for 2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one is COC(c1ccccc1)C(Cl)(Cl)C(=O)c1ccccc1.
What is the InChIKey of 2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one?
The InChIKey is NTSRMWBXIPVKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-20-15(13-10-6-3-7-11-13)16(17,18)14(19)12-8-4-2-5-9-12/h2-11,15H,1H3.
What are the key properties of 2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one?
2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one has a molecular weight of 309.19 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one is sourced from PubChem (CID 13184442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).