(3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone

C18H18FNO2 — CID 46100439

IUPAC(3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESCc1c(F)cccc1C(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H18FNO2/c1-13-15(8-5-9-16(13)19)18(21)20-10-11-22-17(12-20)14-6-3-2-4-7-14/h2-9,17H,10-12H2,1H3
InChIKeyHCVLIZDRLAYAHA-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.35
Rot. Bonds2

About (3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone

(3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone (PubChem CID 46100439) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone
PubChem CID46100439
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESCc1c(F)cccc1C(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H18FNO2/c1-13-15(8-5-9-16(13)19)18(21)20-10-11-22-17(12-20)14-6-3-2-4-7-14/h2-9,17H,10-12H2,1H3
InChIKeyHCVLIZDRLAYAHA-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone (CID 46100439) is (3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone is Cc1c(F)cccc1C(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of (3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is HCVLIZDRLAYAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-13-15(8-5-9-16(13)19)18(21)20-10-11-22-17(12-20)14-6-3-2-4-7-14/h2-9,17H,10-12H2,1H3.
What are the key properties of (3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone?
(3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 299.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methylphenyl)-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 46100439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).