1,4-dichloro-2-(3-ethoxypropoxy)benzene

C11H14Cl2O2 — CID 79005556

IUPAC1,4-dichloro-2-(3-ethoxypropoxy)benzene
SMILESCCOCCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2O2/c1-2-14-6-3-7-15-11-8-9(12)4-5-10(11)13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyTWNUSQRRLDGMHN-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.80
Rot. Bonds6

About 1,4-dichloro-2-(3-ethoxypropoxy)benzene

1,4-dichloro-2-(3-ethoxypropoxy)benzene (PubChem CID 79005556) has the molecular formula C11H14Cl2O2 and a molecular weight of 249.14 g/mol. Its IUPAC name is 1,4-dichloro-2-(3-ethoxypropoxy)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(3-ethoxypropoxy)benzene
PubChem CID79005556
Molecular FormulaC11H14Cl2O2
Molecular Weight249.14 g/mol
Exact Mass248.04
IUPAC Name1,4-dichloro-2-(3-ethoxypropoxy)benzene
SMILESCCOCCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2O2/c1-2-14-6-3-7-15-11-8-9(12)4-5-10(11)13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyTWNUSQRRLDGMHN-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide
CID 84601595
[5-chloro-2-(3-ethoxypropoxy)phenyl]methanol
CID 65175257
5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
CID 65180427
1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
CID 65175757
4-chloro-2-(2-ethoxyethoxy)aniline
CID 62306206
butyl-[4-(2,5-dichlorophenoxy)butyl]azanium
CID 2261994
N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine
CID 65175905
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 55093300
3-[3-(2,5-dichlorophenoxy)propoxy]-2-methylaniline
CID 82097238
4,5-dichloro-2-(3-ethoxypropoxy)aniline
CID 107497934
1-(2,5-dichlorophenoxy)pentan-3-one
CID 39349556
(2S)-N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine
CID 2182170

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(3-ethoxypropoxy)benzene?
The IUPAC name of 1,4-dichloro-2-(3-ethoxypropoxy)benzene (CID 79005556) is 1,4-dichloro-2-(3-ethoxypropoxy)benzene.
What is the SMILES notation for 1,4-dichloro-2-(3-ethoxypropoxy)benzene?
The canonical SMILES for 1,4-dichloro-2-(3-ethoxypropoxy)benzene is CCOCCCOc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(3-ethoxypropoxy)benzene?
The InChIKey is TWNUSQRRLDGMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O2/c1-2-14-6-3-7-15-11-8-9(12)4-5-10(11)13/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1,4-dichloro-2-(3-ethoxypropoxy)benzene?
1,4-dichloro-2-(3-ethoxypropoxy)benzene has a molecular weight of 249.14 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(3-ethoxypropoxy)benzene is sourced from PubChem (CID 79005556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).