6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol

C11H14FNO2 — CID 131487567

IUPAC6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
SMILESCc1ccc(F)c(O)c1[C@H]1COCCN1
InChIInChI=1S/C11H14FNO2/c1-7-2-3-8(12)11(14)10(7)9-6-15-5-4-13-9/h2-3,9,13-14H,4-6H2,1H3/t9-/m1/s1
InChIKeyQLVXKCCDOXLNEG-SECBINFHSA-N
MW211.24 g/mol
LogP1.50
Rot. Bonds1

About 6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol

6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol (PubChem CID 131487567) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol.

Molecular Properties

Compound Name6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
PubChem CID131487567
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
SMILESCc1ccc(F)c(O)c1[C@H]1COCCN1
InChIInChI=1S/C11H14FNO2/c1-7-2-3-8(12)11(14)10(7)9-6-15-5-4-13-9/h2-3,9,13-14H,4-6H2,1H3/t9-/m1/s1
InChIKeyQLVXKCCDOXLNEG-SECBINFHSA-N
XLogP1.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
CID 171193285
6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
CID 131522958
3-bromo-6-methyl-2-morpholin-3-ylphenol
CID 84809565
3-(2,6-dimethylphenyl)morpholine
CID 55298000
3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol
CID 131479210
(3R)-3-(2-chloro-3,6-difluorophenyl)morpholine
CID 97291243
4-fluoro-2-methyl-6-[(3R)-morpholin-3-yl]phenol
CID 131254251
(3S)-3-(2-chloro-6-methylphenyl)morpholine
CID 131168891
(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
CID 131546881
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride
CID 171192935
4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol
CID 131417656

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol?
The IUPAC name of 6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol (CID 131487567) is 6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol.
What is the SMILES notation for 6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol?
The canonical SMILES for 6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol is Cc1ccc(F)c(O)c1[C@H]1COCCN1.
What is the InChIKey of 6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol?
The InChIKey is QLVXKCCDOXLNEG-SECBINFHSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-2-3-8(12)11(14)10(7)9-6-15-5-4-13-9/h2-3,9,13-14H,4-6H2,1H3/t9-/m1/s1.
What are the key properties of 6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol?
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol has a molecular weight of 211.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol is sourced from PubChem (CID 131487567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).