2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol

C12H14ClFO2 — CID 103038984

IUPAC2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)C1CCOC1
InChIInChI=1S/C12H14ClFO2/c13-10-5-8(1-2-11(10)14)6-12(15)9-3-4-16-7-9/h1-2,5,9,12,15H,3-4,6-7H2
InChIKeyZFPCSBCQEVCGLC-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.42
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol

2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol (PubChem CID 103038984) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol
PubChem CID103038984
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)C1CCOC1
InChIInChI=1S/C12H14ClFO2/c13-10-5-8(1-2-11(10)14)6-12(15)9-3-4-16-7-9/h1-2,5,9,12,15H,3-4,6-7H2
InChIKeyZFPCSBCQEVCGLC-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103039609
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
CID 63018675
2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107005515
3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol
CID 106471356
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
3-[1-bromo-2-(3,4-dichlorophenyl)ethyl]oxolane
CID 63045119
2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 103039582
2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 107883617
1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol
CID 103043661
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 103039599
(R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine
CID 131491152
2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol
CID 106694105

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol (CID 103038984) is 2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol is OC(Cc1ccc(F)c(Cl)c1)C1CCOC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol?
The InChIKey is ZFPCSBCQEVCGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c13-10-5-8(1-2-11(10)14)6-12(15)9-3-4-16-7-9/h1-2,5,9,12,15H,3-4,6-7H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol?
2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol has a molecular weight of 244.69 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 103038984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).