1,3-dichloropropan-2-yloxymethylbenzene

C10H12Cl2O — CID 5155009

IUPAC1,3-dichloropropan-2-yloxymethylbenzene
SMILESClCC(CCl)OCc1ccccc1
InChIInChI=1S/C10H12Cl2O/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyPSXZILDFNHACKW-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.05
Rot. Bonds5

About 1,3-dichloropropan-2-yloxymethylbenzene

1,3-dichloropropan-2-yloxymethylbenzene (PubChem CID 5155009) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 1,3-dichloropropan-2-yloxymethylbenzene.

Molecular Properties

Compound Name1,3-dichloropropan-2-yloxymethylbenzene
PubChem CID5155009
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name1,3-dichloropropan-2-yloxymethylbenzene
SMILESClCC(CCl)OCc1ccccc1
InChIInChI=1S/C10H12Cl2O/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyPSXZILDFNHACKW-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.05
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-chloro-2-phenylmethoxypropan-1-ol
CID 13356685
[3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene
CID 141203341
1-chloroethoxymethylbenzene
CID 12510706
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
3-phenylmethoxypentanedial
CID 154678181
hexan-3-yloxymethylbenzene
CID 20782034
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431
benzhydryloxymethylbenzene
CID 11437288
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane
CID 71446134

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloropropan-2-yloxymethylbenzene?
The IUPAC name of 1,3-dichloropropan-2-yloxymethylbenzene (CID 5155009) is 1,3-dichloropropan-2-yloxymethylbenzene.
What is the SMILES notation for 1,3-dichloropropan-2-yloxymethylbenzene?
The canonical SMILES for 1,3-dichloropropan-2-yloxymethylbenzene is ClCC(CCl)OCc1ccccc1.
What is the InChIKey of 1,3-dichloropropan-2-yloxymethylbenzene?
The InChIKey is PSXZILDFNHACKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 1,3-dichloropropan-2-yloxymethylbenzene?
1,3-dichloropropan-2-yloxymethylbenzene has a molecular weight of 219.11 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloropropan-2-yloxymethylbenzene is sourced from PubChem (CID 5155009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).