1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol

C13H16Cl2O2 — CID 113391319

IUPAC1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol
SMILESOC(CC1CCCCO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2O2/c14-9-4-5-12(15)11(7-9)13(16)8-10-3-1-2-6-17-10/h4-5,7,10,13,16H,1-3,6,8H2
InChIKeyOHGYYIVUCVHDCQ-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.99
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol

1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol (PubChem CID 113391319) has the molecular formula C13H16Cl2O2 and a molecular weight of 275.17 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol
PubChem CID113391319
Molecular FormulaC13H16Cl2O2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC Name1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol
SMILESOC(CC1CCCCO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2O2/c14-9-4-5-12(15)11(7-9)13(16)8-10-3-1-2-6-17-10/h4-5,7,10,13,16H,1-3,6,8H2
InChIKeyOHGYYIVUCVHDCQ-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol
CID 107560134
2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid
CID 142974376
1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 105397716
[1-(2,5-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105302010
1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol
CID 65148287
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-2-yl)ethanol
CID 104543084
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
[1-(5-chloro-2-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267580
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol
CID 60981166
2-[3-chloro-3-(2,4-dichlorophenyl)propyl]oxane
CID 63951587
1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 115809368
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol (CID 113391319) is 1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol is OC(CC1CCCCO1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol?
The InChIKey is OHGYYIVUCVHDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O2/c14-9-4-5-12(15)11(7-9)13(16)8-10-3-1-2-6-17-10/h4-5,7,10,13,16H,1-3,6,8H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol?
1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol has a molecular weight of 275.17 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol is sourced from PubChem (CID 113391319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).