[2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol

C12H14ClFO2 — CID 79373763

IUPAC[2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol
SMILESOCC1CCCOC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H14ClFO2/c13-10-4-3-8(6-11(10)14)12-9(7-15)2-1-5-16-12/h3-4,6,9,12,15H,1-2,5,7H2
InChIKeyNXRYSMQLIWXXJZ-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.94
Rot. Bonds2

About [2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol

[2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol (PubChem CID 79373763) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is [2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol
PubChem CID79373763
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name[2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol
SMILESOCC1CCCOC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H14ClFO2/c13-10-4-3-8(6-11(10)14)12-9(7-15)2-1-5-16-12/h3-4,6,9,12,15H,1-2,5,7H2
InChIKeyNXRYSMQLIWXXJZ-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol?
The IUPAC name of [2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol (CID 79373763) is [2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol.
What is the SMILES notation for [2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol?
The canonical SMILES for [2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol is OCC1CCCOC1c1ccc(Cl)c(F)c1.
What is the InChIKey of [2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol?
The InChIKey is NXRYSMQLIWXXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c13-10-4-3-8(6-11(10)14)12-9(7-15)2-1-5-16-12/h3-4,6,9,12,15H,1-2,5,7H2.
What are the key properties of [2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol?
[2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol has a molecular weight of 244.69 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-fluorophenyl)oxan-3-yl]methanol is sourced from PubChem (CID 79373763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).