(2,4-difluorophenyl)-(oxan-3-yl)methanol

C12H14F2O2 — CID 63014562

IUPAC(2,4-difluorophenyl)-(oxan-3-yl)methanol
SMILESOC(c1ccc(F)cc1F)C1CCCOC1
InChIInChI=1S/C12H14F2O2/c13-9-3-4-10(11(14)6-9)12(15)8-2-1-5-16-7-8/h3-4,6,8,12,15H,1-2,5,7H2
InChIKeyBZQZCGAMRZZTLQ-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.42
Rot. Bonds2

About (2,4-difluorophenyl)-(oxan-3-yl)methanol

(2,4-difluorophenyl)-(oxan-3-yl)methanol (PubChem CID 63014562) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(oxan-3-yl)methanol
PubChem CID63014562
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(2,4-difluorophenyl)-(oxan-3-yl)methanol
SMILESOC(c1ccc(F)cc1F)C1CCCOC1
InChIInChI=1S/C12H14F2O2/c13-9-3-4-10(11(14)6-9)12(15)8-2-1-5-16-7-8/h3-4,6,8,12,15H,1-2,5,7H2
InChIKeyBZQZCGAMRZZTLQ-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol
CID 107136089
(5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol
CID 63899537
3-[chloro-(2,4-difluorophenyl)methyl]oxane
CID 63014568
3-[bromo-(2,4-difluorophenyl)methyl]oxane
CID 63013323
(2,4-difluorophenyl)-(oxan-4-yl)methanol
CID 62905509
[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229979
(2,4-difluoro-5-methylphenyl)-(oxan-3-yl)methanol
CID 79731520
(2,5-dichlorophenyl)-(oxan-3-yl)methanol
CID 63013314
(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
CID 107512213
(2-amino-3-fluorophenyl)-(oxan-3-yl)methanol
CID 105482980
(2-fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123
(2,4-difluorophenyl)-(oxan-2-yl)methanol
CID 62214447

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(oxan-3-yl)methanol?
The IUPAC name of (2,4-difluorophenyl)-(oxan-3-yl)methanol (CID 63014562) is (2,4-difluorophenyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (2,4-difluorophenyl)-(oxan-3-yl)methanol?
The canonical SMILES for (2,4-difluorophenyl)-(oxan-3-yl)methanol is OC(c1ccc(F)cc1F)C1CCCOC1.
What is the InChIKey of (2,4-difluorophenyl)-(oxan-3-yl)methanol?
The InChIKey is BZQZCGAMRZZTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c13-9-3-4-10(11(14)6-9)12(15)8-2-1-5-16-7-8/h3-4,6,8,12,15H,1-2,5,7H2.
What are the key properties of (2,4-difluorophenyl)-(oxan-3-yl)methanol?
(2,4-difluorophenyl)-(oxan-3-yl)methanol has a molecular weight of 228.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 63014562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).