1,2-dichloropropoxybenzene

C9H10Cl2O — CID 118151210

IUPAC1,2-dichloropropoxybenzene
SMILESCC(Cl)C(Cl)Oc1ccccc1
InChIInChI=1S/C9H10Cl2O/c1-7(10)9(11)12-8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyCTIZPSNFOUNOHG-UHFFFAOYSA-N
MW205.08 g/mol
LogP3.26
Rot. Bonds3

About 1,2-dichloropropoxybenzene

1,2-dichloropropoxybenzene (PubChem CID 118151210) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is 1,2-dichloropropoxybenzene.

Molecular Properties

Compound Name1,2-dichloropropoxybenzene
PubChem CID118151210
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name1,2-dichloropropoxybenzene
SMILESCC(Cl)C(Cl)Oc1ccccc1
InChIInChI=1S/C9H10Cl2O/c1-7(10)9(11)12-8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyCTIZPSNFOUNOHG-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 53.26
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

chloroform;1-phenoxyethanol
CID 160851082
1-methoxyethoxybenzene
CID 18188895
1-phenoxyethanol
CID 66611531
[(1R)-1-fluoroethoxy]benzene
CID 175733278
1-(1-phenoxyethylperoxy)ethoxybenzene
CID 175523991
dimethyl(diphenoxy)phosphanium
CID 118068912
1-chloro-1-phenoxybutane-2,3-dione
CID 87706379
1-phenoxyethanol;trihydrate
CID 175915128
3-methylbut-3-en-2-yloxybenzene
CID 564925
1-phenoxyethanesulfonyl chloride
CID 18351740
tris[4-(1-phenoxyethoxy)phenyl]sulfanium
CID 139829592
2-chloro-2-phenoxyacetonitrile
CID 53400486

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloropropoxybenzene?
The IUPAC name of 1,2-dichloropropoxybenzene (CID 118151210) is 1,2-dichloropropoxybenzene.
What is the SMILES notation for 1,2-dichloropropoxybenzene?
The canonical SMILES for 1,2-dichloropropoxybenzene is CC(Cl)C(Cl)Oc1ccccc1.
What is the InChIKey of 1,2-dichloropropoxybenzene?
The InChIKey is CTIZPSNFOUNOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O/c1-7(10)9(11)12-8-5-3-2-4-6-8/h2-7,9H,1H3.
What are the key properties of 1,2-dichloropropoxybenzene?
1,2-dichloropropoxybenzene has a molecular weight of 205.08 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloropropoxybenzene is sourced from PubChem (CID 118151210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).