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

C12H14F2O2 — CID 62214447

IUPAC(2,4-difluorophenyl)-(oxan-2-yl)methanol
SMILESOC(c1ccc(F)cc1F)C1CCCCO1
InChIInChI=1S/C12H14F2O2/c13-8-4-5-9(10(14)7-8)12(15)11-3-1-2-6-16-11/h4-5,7,11-12,15H,1-3,6H2
InChIKeyVQGKVJCQHLZCMW-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.57
Rot. Bonds2

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

(2,4-difluorophenyl)-(oxan-2-yl)methanol (PubChem CID 62214447) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(oxan-2-yl)methanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(oxan-2-yl)methanol
PubChem CID62214447
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(2,4-difluorophenyl)-(oxan-2-yl)methanol
SMILESOC(c1ccc(F)cc1F)C1CCCCO1
InChIInChI=1S/C12H14F2O2/c13-8-4-5-9(10(14)7-8)12(15)11-3-1-2-6-16-11/h4-5,7,11-12,15H,1-3,6H2
InChIKeyVQGKVJCQHLZCMW-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-(oxan-4-yl)methanol
CID 62905509
(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
[2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol
CID 62214641
1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 54941852
(2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine
CID 105397026
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
CID 65296637
2-[bromo-(2,4,5-trifluorophenyl)methyl]oxane
CID 103304168
(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
CID 65401333
(4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol
CID 106879508
(2,5-dibromo-4-methylphenyl)-(oxan-2-yl)methanol
CID 81474176
2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide
CID 54203855

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(oxan-2-yl)methanol?
The IUPAC name of (2,4-difluorophenyl)-(oxan-2-yl)methanol (CID 62214447) is (2,4-difluorophenyl)-(oxan-2-yl)methanol.
What is the SMILES notation for (2,4-difluorophenyl)-(oxan-2-yl)methanol?
The canonical SMILES for (2,4-difluorophenyl)-(oxan-2-yl)methanol is OC(c1ccc(F)cc1F)C1CCCCO1.
What is the InChIKey of (2,4-difluorophenyl)-(oxan-2-yl)methanol?
The InChIKey is VQGKVJCQHLZCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c13-8-4-5-9(10(14)7-8)12(15)11-3-1-2-6-16-11/h4-5,7,11-12,15H,1-3,6H2.
What are the key properties of (2,4-difluorophenyl)-(oxan-2-yl)methanol?
(2,4-difluorophenyl)-(oxan-2-yl)methanol has a molecular weight of 228.24 g/mol, XLogP of 2.57, 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-2-yl)methanol is sourced from PubChem (CID 62214447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).