(1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol

C14H20FNO3 — CID 104877449

IUPAC(1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol
SMILESCc1cc(N2CCOCC2CO)c([C@@H](C)O)cc1F
InChIInChI=1S/C14H20FNO3/c1-9-5-14(12(10(2)18)6-13(9)15)16-3-4-19-8-11(16)7-17/h5-6,10-11,17-18H,3-4,7-8H2,1-2H3/t10-,11?/m1/s1
InChIKeyCMCXWEXWYHYWKS-NFJWQWPMSA-N
MW269.32 g/mol
LogP1.38
Rot. Bonds3

About (1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol

(1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol (PubChem CID 104877449) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol
PubChem CID104877449
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name(1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol
SMILESCc1cc(N2CCOCC2CO)c([C@@H](C)O)cc1F
InChIInChI=1S/C14H20FNO3/c1-9-5-14(12(10(2)18)6-13(9)15)16-3-4-19-8-11(16)7-17/h5-6,10-11,17-18H,3-4,7-8H2,1-2H3/t10-,11?/m1/s1
InChIKeyCMCXWEXWYHYWKS-NFJWQWPMSA-N
XLogP1.38
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
CID 104877438
(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939791
1-[1-[4-fluoro-2-[(1S)-1-hydroxyethyl]-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836529
1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836488
(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol
CID 104969884
(1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 78939877
[4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol
CID 117009219
[4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol
CID 117009222
[1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781840
[4-(2-chlorophenyl)morpholin-3-yl]methanol
CID 117009212
1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol
CID 114411335
(1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol
CID 102744674

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol?
The IUPAC name of (1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol (CID 104877449) is (1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol?
The canonical SMILES for (1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol is Cc1cc(N2CCOCC2CO)c([C@@H](C)O)cc1F.
What is the InChIKey of (1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol?
The InChIKey is CMCXWEXWYHYWKS-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-9-5-14(12(10(2)18)6-13(9)15)16-3-4-19-8-11(16)7-17/h5-6,10-11,17-18H,3-4,7-8H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol?
(1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol has a molecular weight of 269.32 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-[3-(hydroxymethyl)morpholin-4-yl]-4-methylphenyl]ethanol is sourced from PubChem (CID 104877449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).