1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene

C17H18Cl2O — CID 79446963

IUPAC1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene
SMILESCOc1ccccc1CC(CCl)(CCl)c1ccccc1
InChIInChI=1S/C17H18Cl2O/c1-20-16-10-6-5-7-14(16)11-17(12-18,13-19)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3
InChIKeyRGAMHLBILDRDOA-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.65
Rot. Bonds6

About 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene

1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene (PubChem CID 79446963) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene
PubChem CID79446963
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene
SMILESCOc1ccccc1CC(CCl)(CCl)c1ccccc1
InChIInChI=1S/C17H18Cl2O/c1-20-16-10-6-5-7-14(16)11-17(12-18,13-19)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3
InChIKeyRGAMHLBILDRDOA-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.65
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

1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
CID 66036060
4-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-fluoro-1-methoxybenzene
CID 79446584
1-[3-bromo-2-(bromomethyl)-2-(2-chlorophenyl)propyl]-2-methoxybenzene
CID 79446634
2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1,4-dimethylbenzene
CID 79447240
1-[2-(chloromethyl)-2-methylbut-3-enyl]-2-methoxybenzene
CID 102642148
1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene
CID 79448258
4-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1,2-dimethylbenzene
CID 79447242
2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile
CID 174958896
2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 65376186
2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
CID 164851883
1-[1-chloro-2-(chloromethyl)-3-(2-methylphenyl)propan-2-yl]-3-methylbenzene
CID 79453566
3-(2-methoxyphenyl)-1,1-diphenylpropane-1,2-diamine
CID 67801484

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene?
The IUPAC name of 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene (CID 79446963) is 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene.
What is the SMILES notation for 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene?
The canonical SMILES for 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene is COc1ccccc1CC(CCl)(CCl)c1ccccc1.
What is the InChIKey of 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene?
The InChIKey is RGAMHLBILDRDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-20-16-10-6-5-7-14(16)11-17(12-18,13-19)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3.
What are the key properties of 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene?
1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene has a molecular weight of 309.24 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene is sourced from PubChem (CID 79446963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).