1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol

C13H16ClFO2 — CID 105397716

IUPAC1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H16ClFO2/c14-12-5-3-9(15)8-11(12)13(16)6-4-10-2-1-7-17-10/h3,5,8,10,13,16H,1-2,4,6-7H2
InChIKeyXUNWSIMGNOVKHF-UHFFFAOYSA-N
MW258.72 g/mol
LogP3.47
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol

1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 105397716) has the molecular formula C13H16ClFO2 and a molecular weight of 258.72 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID105397716
Molecular FormulaC13H16ClFO2
Molecular Weight258.72 g/mol
Exact Mass258.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H16ClFO2/c14-12-5-3-9(15)8-11(12)13(16)6-4-10-2-1-7-17-10/h3,5,8,10,13,16H,1-2,4,6-7H2
InChIKeyXUNWSIMGNOVKHF-UHFFFAOYSA-N
XLogP3.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 115809368
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161657
[1-(2,5-difluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105219360
1-(3-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167485
1-(3-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 114454051
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane
CID 65158065
1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79730679
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161658
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol (CID 105397716) is 1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol is OC(CCC1CCCO1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is XUNWSIMGNOVKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO2/c14-12-5-3-9(15)8-11(12)13(16)6-4-10-2-1-7-17-10/h3,5,8,10,13,16H,1-2,4,6-7H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol?
1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 258.72 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 105397716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).