(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol

C15H21F2NO2 — CID 107512959

IUPAC(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
SMILESCc1ccc(C(O)C2CN(C(C)C)CCO2)c(F)c1F
InChIInChI=1S/C15H21F2NO2/c1-9(2)18-6-7-20-12(8-18)15(19)11-5-4-10(3)13(16)14(11)17/h4-5,9,12,15,19H,6-8H2,1-3H3
InChIKeyGEZQOGYMFAHGBL-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.42
Rot. Bonds3

About (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol

(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol (PubChem CID 107512959) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
PubChem CID107512959
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
SMILESCc1ccc(C(O)C2CN(C(C)C)CCO2)c(F)c1F
InChIInChI=1S/C15H21F2NO2/c1-9(2)18-6-7-20-12(8-18)15(19)11-5-4-10(3)13(16)14(11)17/h4-5,9,12,15,19H,6-8H2,1-3H3
InChIKeyGEZQOGYMFAHGBL-UHFFFAOYSA-N
XLogP2.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol (CID 107512959) is (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol is Cc1ccc(C(O)C2CN(C(C)C)CCO2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol?
The InChIKey is GEZQOGYMFAHGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-9(2)18-6-7-20-12(8-18)15(19)11-5-4-10(3)13(16)14(11)17/h4-5,9,12,15,19H,6-8H2,1-3H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol?
(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol has a molecular weight of 285.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol is sourced from PubChem (CID 107512959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).