2-[(S)-morpholin-4-yl(phenyl)methyl]phenol

C17H19NO2 — CID 36690968

IUPAC2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
SMILESOc1ccccc1[C@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H19NO2/c19-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)18-10-12-20-13-11-18/h1-9,17,19H,10-13H2/t17-/m0/s1
InChIKeyGWSZQRCZPKHXGV-KRWDZBQOSA-N
MW269.34 g/mol
LogP2.81
Rot. Bonds3

About 2-[(S)-morpholin-4-yl(phenyl)methyl]phenol

2-[(S)-morpholin-4-yl(phenyl)methyl]phenol (PubChem CID 36690968) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(S)-morpholin-4-yl(phenyl)methyl]phenol.

Molecular Properties

Compound Name2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
PubChem CID36690968
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
SMILESOc1ccccc1[C@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H19NO2/c19-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)18-10-12-20-13-11-18/h1-9,17,19H,10-13H2/t17-/m0/s1
InChIKeyGWSZQRCZPKHXGV-KRWDZBQOSA-N
XLogP2.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol
CID 102327495
2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol
CID 102355502
2-[morpholin-4-yl(phenyl)methyl]aniline
CID 160604739
2-(3-morpholin-4-yl-1-phenylpropyl)phenol
CID 567625
1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
CID 747708
2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol
CID 174990296
4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine
CID 71608225
4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107
6-[(S)-(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol
CID 92857334
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
6-[(2-chlorophenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol
CID 42651183
6-methyl-4-[morpholin-4-yl(phenyl)methyl]-1,3-dihydrofuro[3,4-c]pyridin-7-ol
CID 12940900

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-morpholin-4-yl(phenyl)methyl]phenol?
The IUPAC name of 2-[(S)-morpholin-4-yl(phenyl)methyl]phenol (CID 36690968) is 2-[(S)-morpholin-4-yl(phenyl)methyl]phenol.
What is the SMILES notation for 2-[(S)-morpholin-4-yl(phenyl)methyl]phenol?
The canonical SMILES for 2-[(S)-morpholin-4-yl(phenyl)methyl]phenol is Oc1ccccc1[C@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-[(S)-morpholin-4-yl(phenyl)methyl]phenol?
The InChIKey is GWSZQRCZPKHXGV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO2/c19-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)18-10-12-20-13-11-18/h1-9,17,19H,10-13H2/t17-/m0/s1.
What are the key properties of 2-[(S)-morpholin-4-yl(phenyl)methyl]phenol?
2-[(S)-morpholin-4-yl(phenyl)methyl]phenol has a molecular weight of 269.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-morpholin-4-yl(phenyl)methyl]phenol is sourced from PubChem (CID 36690968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).