1,4-bis(3-chloropropoxy)benzene

C12H16Cl2O2 — CID 20523958

IUPAC1,4-bis(3-chloropropoxy)benzene
SMILESClCCCOc1ccc(OCCCCl)cc1
InChIInChI=1S/C12H16Cl2O2/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6H,1-2,7-10H2
InChIKeyUYUMFCLCGXTSQA-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.70
Rot. Bonds8

About 1,4-bis(3-chloropropoxy)benzene

1,4-bis(3-chloropropoxy)benzene (PubChem CID 20523958) has the molecular formula C12H16Cl2O2 and a molecular weight of 263.16 g/mol. Its IUPAC name is 1,4-bis(3-chloropropoxy)benzene.

Molecular Properties

Compound Name1,4-bis(3-chloropropoxy)benzene
PubChem CID20523958
Molecular FormulaC12H16Cl2O2
Molecular Weight263.16 g/mol
Exact Mass262.05
IUPAC Name1,4-bis(3-chloropropoxy)benzene
SMILESClCCCOc1ccc(OCCCCl)cc1
InChIInChI=1S/C12H16Cl2O2/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6H,1-2,7-10H2
InChIKeyUYUMFCLCGXTSQA-UHFFFAOYSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
[4-(3-chloropropoxy)phenyl]boronic acid
CID 67281130
1-(4-chlorobutoxy)-4-iodobenzene
CID 58186898
1-(3-chloropropoxy)-4-[(E)-2-phenylethenyl]benzene
CID 23150283
1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene
CID 144539206
2-[4-(5-chloropentoxy)phenoxy]ethylsilane
CID 123967006
1-(6-chlorohexoxy)-4-ethoxybenzene
CID 63498933
(1S)-1-[4-(3-chloropropoxy)phenyl]ethane-1,2-diamine
CID 66517949
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
bis[4-(2-chloroethoxy)phenyl]iodanium
CID 20582192
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3-chloropropoxy)benzene?
The IUPAC name of 1,4-bis(3-chloropropoxy)benzene (CID 20523958) is 1,4-bis(3-chloropropoxy)benzene.
What is the SMILES notation for 1,4-bis(3-chloropropoxy)benzene?
The canonical SMILES for 1,4-bis(3-chloropropoxy)benzene is ClCCCOc1ccc(OCCCCl)cc1.
What is the InChIKey of 1,4-bis(3-chloropropoxy)benzene?
The InChIKey is UYUMFCLCGXTSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O2/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6H,1-2,7-10H2.
What are the key properties of 1,4-bis(3-chloropropoxy)benzene?
1,4-bis(3-chloropropoxy)benzene has a molecular weight of 263.16 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3-chloropropoxy)benzene is sourced from PubChem (CID 20523958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).