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

C12H14F2O2 — CID 62905509

IUPAC(2,4-difluorophenyl)-(oxan-4-yl)methanol
SMILESOC(c1ccc(F)cc1F)C1CCOCC1
InChIInChI=1S/C12H14F2O2/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,15H,3-6H2
InChIKeyZKOJJKAACOSYFV-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.42
Rot. Bonds2

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

(2,4-difluorophenyl)-(oxan-4-yl)methanol (PubChem CID 62905509) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(oxan-4-yl)methanol
PubChem CID62905509
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(2,4-difluorophenyl)-(oxan-4-yl)methanol
SMILESOC(c1ccc(F)cc1F)C1CCOCC1
InChIInChI=1S/C12H14F2O2/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,15H,3-6H2
InChIKeyZKOJJKAACOSYFV-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

(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
oxan-4-yl-(2,3,4-trifluorophenyl)methanol
CID 63902199
(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
CID 65401333
(1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol
CID 118309422
(2,4-difluorophenyl)-(oxan-2-yl)methanol
CID 62214447
(2-chloro-4-fluorophenyl)-cyclopropylmethanol
CID 58392404
(2-fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123
cycloheptyl-(2,5-difluorophenyl)methanol
CID 55091243
(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265
(R)-cycloheptyl-(2,5-difluorophenyl)methanol
CID 94502433
oxolan-3-yl-(2,3,4-trifluorophenyl)methanol
CID 63893972

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(oxan-4-yl)methanol?
The IUPAC name of (2,4-difluorophenyl)-(oxan-4-yl)methanol (CID 62905509) is (2,4-difluorophenyl)-(oxan-4-yl)methanol.
What is the SMILES notation for (2,4-difluorophenyl)-(oxan-4-yl)methanol?
The canonical SMILES for (2,4-difluorophenyl)-(oxan-4-yl)methanol is OC(c1ccc(F)cc1F)C1CCOCC1.
What is the InChIKey of (2,4-difluorophenyl)-(oxan-4-yl)methanol?
The InChIKey is ZKOJJKAACOSYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,15H,3-6H2.
What are the key properties of (2,4-difluorophenyl)-(oxan-4-yl)methanol?
(2,4-difluorophenyl)-(oxan-4-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-4-yl)methanol is sourced from PubChem (CID 62905509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).