2-(3,4-dichlorophenyl)-5-ethyloxolane

C12H14Cl2O — CID 90089094

IUPAC2-(3,4-dichlorophenyl)-5-ethyloxolane
SMILESCCC1CCC(c2ccc(Cl)c(Cl)c2)O1
InChIInChI=1S/C12H14Cl2O/c1-2-9-4-6-12(15-9)8-3-5-10(13)11(14)7-8/h3,5,7,9,12H,2,4,6H2,1H3
InChIKeyHSOXHGOISUJMKQ-UHFFFAOYSA-N
MW245.15 g/mol
LogP4.62
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-5-ethyloxolane

2-(3,4-dichlorophenyl)-5-ethyloxolane (PubChem CID 90089094) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-ethyloxolane.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-ethyloxolane
PubChem CID90089094
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name2-(3,4-dichlorophenyl)-5-ethyloxolane
SMILESCCC1CCC(c2ccc(Cl)c(Cl)c2)O1
InChIInChI=1S/C12H14Cl2O/c1-2-9-4-6-12(15-9)8-3-5-10(13)11(14)7-8/h3,5,7,9,12H,2,4,6H2,1H3
InChIKeyHSOXHGOISUJMKQ-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine
CID 142626520
2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane
CID 130582503
(5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane
CID 118685866
(2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane
CID 89062578
ethane;2-ethyl-6-[4-(trifluoromethyl)phenyl]oxane
CID 144591558
(2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine
CID 126611053
3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine
CID 81415877
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane
CID 58555755
[(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine
CID 118052996
2-[4-chloro-3-(3-ethylcyclopentyl)oxyphenyl]-6-(hydroxymethyl)oxan-4-ol
CID 143172068
2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran
CID 56639300
2-(3,4-dichlorophenyl)-1-ethylsulfonylpyrrolidine
CID 61356195

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-ethyloxolane?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-ethyloxolane (CID 90089094) is 2-(3,4-dichlorophenyl)-5-ethyloxolane.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-ethyloxolane?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-ethyloxolane is CCC1CCC(c2ccc(Cl)c(Cl)c2)O1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-ethyloxolane?
The InChIKey is HSOXHGOISUJMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O/c1-2-9-4-6-12(15-9)8-3-5-10(13)11(14)7-8/h3,5,7,9,12H,2,4,6H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-5-ethyloxolane?
2-(3,4-dichlorophenyl)-5-ethyloxolane has a molecular weight of 245.15 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-ethyloxolane is sourced from PubChem (CID 90089094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).