1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol

C14H18Cl2O2 — CID 65162393

IUPAC1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
SMILESOC(CCCC1CCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2O2/c15-11-6-2-7-12(16)14(11)13(17)8-1-4-10-5-3-9-18-10/h2,6-7,10,13,17H,1,3-5,8-9H2
InChIKeyBWSCZGJAMFXLOP-UHFFFAOYSA-N
MW289.20 g/mol
LogP4.38
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol

1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol (PubChem CID 65162393) has the molecular formula C14H18Cl2O2 and a molecular weight of 289.20 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
PubChem CID65162393
Molecular FormulaC14H18Cl2O2
Molecular Weight289.20 g/mol
Exact Mass288.07
IUPAC Name1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
SMILESOC(CCCC1CCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2O2/c15-11-6-2-7-12(16)14(11)13(17)8-1-4-10-5-3-9-18-10/h2,6-7,10,13,17H,1,3-5,8-9H2
InChIKeyBWSCZGJAMFXLOP-UHFFFAOYSA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-1-ol
CID 79455209
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161658
1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164797
1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine
CID 66141385
1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164845
1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 107947559
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161655
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298
1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol
CID 115808969
[3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 112612609
[1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105237683

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol (CID 65162393) is 1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol is OC(CCCC1CCCO1)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is BWSCZGJAMFXLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O2/c15-11-6-2-7-12(16)14(11)13(17)8-1-4-10-5-3-9-18-10/h2,6-7,10,13,17H,1,3-5,8-9H2.
What are the key properties of 1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol?
1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 289.20 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 65162393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).