4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine

C18H26FNO3 — CID 86817921

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine
SMILESCOc1ccc(CCCN2CCOC(C3CCCO3)C2)cc1F
InChIInChI=1S/C18H26FNO3/c1-21-16-7-6-14(12-15(16)19)4-2-8-20-9-11-23-18(13-20)17-5-3-10-22-17/h6-7,12,17-18H,2-5,8-11,13H2,1H3
InChIKeyQTBBXNDOXGLRRA-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.65
Rot. Bonds6

About 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine

4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine (PubChem CID 86817921) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine
PubChem CID86817921
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine
SMILESCOc1ccc(CCCN2CCOC(C3CCCO3)C2)cc1F
InChIInChI=1S/C18H26FNO3/c1-21-16-7-6-14(12-15(16)19)4-2-8-20-9-11-23-18(13-20)17-5-3-10-22-17/h6-7,12,17-18H,2-5,8-11,13H2,1H3
InChIKeyQTBBXNDOXGLRRA-UHFFFAOYSA-N
XLogP2.65
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine (CID 86817921) is 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine is COc1ccc(CCCN2CCOC(C3CCCO3)C2)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine?
The InChIKey is QTBBXNDOXGLRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-21-16-7-6-14(12-15(16)19)4-2-8-20-9-11-23-18(13-20)17-5-3-10-22-17/h6-7,12,17-18H,2-5,8-11,13H2,1H3.
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine?
4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine has a molecular weight of 323.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2-(oxolan-2-yl)morpholine is sourced from PubChem (CID 86817921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).