1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol

C16H24FNO3 — CID 81212826

IUPAC1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
SMILESCc1ccc(C(O)CCN2CC(CO)OCC2C)cc1F
InChIInChI=1S/C16H24FNO3/c1-11-3-4-13(7-15(11)17)16(20)5-6-18-8-14(9-19)21-10-12(18)2/h3-4,7,12,14,16,19-20H,5-6,8-10H2,1-2H3
InChIKeyBYCHNDKPRKNACA-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.64
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol

1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol (PubChem CID 81212826) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
PubChem CID81212826
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
SMILESCc1ccc(C(O)CCN2CC(CO)OCC2C)cc1F
InChIInChI=1S/C16H24FNO3/c1-11-3-4-13(7-15(11)17)16(20)5-6-18-8-14(9-19)21-10-12(18)2/h3-4,7,12,14,16,19-20H,5-6,8-10H2,1-2H3
InChIKeyBYCHNDKPRKNACA-UHFFFAOYSA-N
XLogP1.64
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol
CID 81213258
3-(2,5-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)propan-1-ol
CID 62629462
(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70250173
[4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-5-methylmorpholin-2-yl]methanol
CID 83126729
(2R)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
CID 106932860
[4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol
CID 81204825
[5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol
CID 81219773
1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
CID 55099046
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 100698230
4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol
CID 107128525
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol (CID 81212826) is 1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol is Cc1ccc(C(O)CCN2CC(CO)OCC2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol?
The InChIKey is BYCHNDKPRKNACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-11-3-4-13(7-15(11)17)16(20)5-6-18-8-14(9-19)21-10-12(18)2/h3-4,7,12,14,16,19-20H,5-6,8-10H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol?
1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol has a molecular weight of 297.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol is sourced from PubChem (CID 81212826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).