1-chloro-3-(5-chloropentoxy)benzene

C11H14Cl2O — CID 43348402

IUPAC1-chloro-3-(5-chloropentoxy)benzene
SMILESClCCCCCOc1cccc(Cl)c1
InChIInChI=1S/C11H14Cl2O/c12-7-2-1-3-8-14-11-6-4-5-10(13)9-11/h4-6,9H,1-3,7-8H2
InChIKeyJSQZEBYTHOBGFV-UHFFFAOYSA-N
MW233.14 g/mol
LogP4.13
Rot. Bonds6

About 1-chloro-3-(5-chloropentoxy)benzene

1-chloro-3-(5-chloropentoxy)benzene (PubChem CID 43348402) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 1-chloro-3-(5-chloropentoxy)benzene.

Molecular Properties

Compound Name1-chloro-3-(5-chloropentoxy)benzene
PubChem CID43348402
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name1-chloro-3-(5-chloropentoxy)benzene
SMILESClCCCCCOc1cccc(Cl)c1
InChIInChI=1S/C11H14Cl2O/c12-7-2-1-3-8-14-11-6-4-5-10(13)9-11/h4-6,9H,1-3,7-8H2
InChIKeyJSQZEBYTHOBGFV-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(8-bromooctoxy)-3-chlorobenzene
CID 131871951
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412
1-(5-chloropentoxy)-3-ethoxybenzene
CID 62338455
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
1,3-dichloro-5-(5-chloropentoxy)benzene
CID 43621927
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
2-amino-6-(3-chlorophenoxy)hexane-1-thiol;hydrochloride
CID 18435831
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
3-(3-chlorophenoxy)propanal
CID 63040616
2-[3-(3-chlorophenoxy)propoxy]aniline
CID 43365954
5-(3-chlorophenoxy)pentan-2-one
CID 62030286

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(5-chloropentoxy)benzene?
The IUPAC name of 1-chloro-3-(5-chloropentoxy)benzene (CID 43348402) is 1-chloro-3-(5-chloropentoxy)benzene.
What is the SMILES notation for 1-chloro-3-(5-chloropentoxy)benzene?
The canonical SMILES for 1-chloro-3-(5-chloropentoxy)benzene is ClCCCCCOc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(5-chloropentoxy)benzene?
The InChIKey is JSQZEBYTHOBGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c12-7-2-1-3-8-14-11-6-4-5-10(13)9-11/h4-6,9H,1-3,7-8H2.
What are the key properties of 1-chloro-3-(5-chloropentoxy)benzene?
1-chloro-3-(5-chloropentoxy)benzene has a molecular weight of 233.14 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(5-chloropentoxy)benzene is sourced from PubChem (CID 43348402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).