2-[3-(3,4-dichlorophenyl)butoxy]oxane

C15H20Cl2O2 — CID 57302396

IUPAC2-[3-(3,4-dichlorophenyl)butoxy]oxane
SMILESCC(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2O2/c1-11(12-5-6-13(16)14(17)10-12)7-9-19-15-4-2-3-8-18-15/h5-6,10-11,15H,2-4,7-9H2,1H3
InChIKeyWVFOZZRBGBHFOW-UHFFFAOYSA-N
MW303.23 g/mol
LogP5.03
Rot. Bonds5

About 2-[3-(3,4-dichlorophenyl)butoxy]oxane

2-[3-(3,4-dichlorophenyl)butoxy]oxane (PubChem CID 57302396) has the molecular formula C15H20Cl2O2 and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)butoxy]oxane.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)butoxy]oxane
PubChem CID57302396
Molecular FormulaC15H20Cl2O2
Molecular Weight303.23 g/mol
Exact Mass302.08
IUPAC Name2-[3-(3,4-dichlorophenyl)butoxy]oxane
SMILESCC(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2O2/c1-11(12-5-6-13(16)14(17)10-12)7-9-19-15-4-2-3-8-18-15/h5-6,10-11,15H,2-4,7-9H2,1H3
InChIKeyWVFOZZRBGBHFOW-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.23
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dichlorophenyl)-4-(oxan-2-yloxy)butyl]-N-methylbenzamide
CID 22137536
2-[4-(4-methylphenyl)pentoxy]oxane
CID 13212687
2-[4-[(3,4-dichlorophenyl)methylsulfanyl]butoxy]oxane
CID 2794924
2-(3-methylpentoxy)oxane
CID 14309360
2-(6-methylheptoxy)oxane
CID 139685112
2-[2-(4-bromo-2-chloro-5-methoxyphenyl)ethoxy]oxane
CID 162682281
2-[(3S,7R)-3,7,11-trimethyldodecoxy]oxane
CID 70570325
2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol
CID 69449644
2-methyl-4-(oxan-2-yloxy)-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 164669225
2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane
CID 170630411
5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one
CID 139771268
2-(3-phenylhex-5-ynoxy)oxane
CID 10658882

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)butoxy]oxane?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)butoxy]oxane (CID 57302396) is 2-[3-(3,4-dichlorophenyl)butoxy]oxane.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)butoxy]oxane?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)butoxy]oxane is CC(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)butoxy]oxane?
The InChIKey is WVFOZZRBGBHFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2O2/c1-11(12-5-6-13(16)14(17)10-12)7-9-19-15-4-2-3-8-18-15/h5-6,10-11,15H,2-4,7-9H2,1H3.
What are the key properties of 2-[3-(3,4-dichlorophenyl)butoxy]oxane?
2-[3-(3,4-dichlorophenyl)butoxy]oxane has a molecular weight of 303.23 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)butoxy]oxane is sourced from PubChem (CID 57302396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).