1-chloro-4-(1-chlorobutan-2-yloxy)benzene

C10H12Cl2O — CID 70462784

IUPAC1-chloro-4-(1-chlorobutan-2-yloxy)benzene
SMILESCCC(CCl)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H12Cl2O/c1-2-9(7-11)13-10-5-3-8(12)4-6-10/h3-6,9H,2,7H2,1H3
InChIKeyNPPCZXDWMGABCO-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.74
Rot. Bonds4

About 1-chloro-4-(1-chlorobutan-2-yloxy)benzene

1-chloro-4-(1-chlorobutan-2-yloxy)benzene (PubChem CID 70462784) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 1-chloro-4-(1-chlorobutan-2-yloxy)benzene.

Molecular Properties

Compound Name1-chloro-4-(1-chlorobutan-2-yloxy)benzene
PubChem CID70462784
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name1-chloro-4-(1-chlorobutan-2-yloxy)benzene
SMILESCCC(CCl)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H12Cl2O/c1-2-9(7-11)13-10-5-3-8(12)4-6-10/h3-6,9H,2,7H2,1H3
InChIKeyNPPCZXDWMGABCO-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.74
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-chloro-4-heptan-4-yloxybenzene
CID 142490419
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
1-(chloromethyl)-4-pentan-3-yloxybenzene
CID 54051515
N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944
2-chloro-1-fluoro-4-pentan-3-yloxybenzene
CID 166779725
O-(4-pentan-3-yloxyphenyl)hydroxylamine
CID 163751792
1-chloro-4-(1-chloroethoxy)benzene
CID 13323363
1-(4-chlorophenoxy)propylphosphonic acid
CID 67896199
1-(4-chlorophenoxy)butan-1-ol
CID 23332143
1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene
CID 154094550
1-chloro-3-fluoro-5-pentan-3-yloxybenzene
CID 166779713
1-butoxy-4-pentan-3-yloxybenzene
CID 90865394

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-chlorobutan-2-yloxy)benzene?
The IUPAC name of 1-chloro-4-(1-chlorobutan-2-yloxy)benzene (CID 70462784) is 1-chloro-4-(1-chlorobutan-2-yloxy)benzene.
What is the SMILES notation for 1-chloro-4-(1-chlorobutan-2-yloxy)benzene?
The canonical SMILES for 1-chloro-4-(1-chlorobutan-2-yloxy)benzene is CCC(CCl)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1-chlorobutan-2-yloxy)benzene?
The InChIKey is NPPCZXDWMGABCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-2-9(7-11)13-10-5-3-8(12)4-6-10/h3-6,9H,2,7H2,1H3.
What are the key properties of 1-chloro-4-(1-chlorobutan-2-yloxy)benzene?
1-chloro-4-(1-chlorobutan-2-yloxy)benzene has a molecular weight of 219.11 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-chlorobutan-2-yloxy)benzene is sourced from PubChem (CID 70462784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).