[(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol

C17H21NO3 — CID 97153592

IUPAC[(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol
SMILESC[C@H]1CO[C@H](CO)CN1Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C17H21NO3/c1-13-12-20-16(11-19)10-18(13)9-15-7-8-17(21-15)14-5-3-2-4-6-14/h2-8,13,16,19H,9-12H2,1H3/t13-,16-/m0/s1
InChIKeyGJSFISRGKBDTRS-BBRMVZONSA-N
MW287.36 g/mol
LogP2.53
Rot. Bonds4

About [(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol

[(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol (PubChem CID 97153592) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol
PubChem CID97153592
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol
SMILESC[C@H]1CO[C@H](CO)CN1Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C17H21NO3/c1-13-12-20-16(11-19)10-18(13)9-15-7-8-17(21-15)14-5-3-2-4-6-14/h2-8,13,16,19H,9-12H2,1H3/t13-,16-/m0/s1
InChIKeyGJSFISRGKBDTRS-BBRMVZONSA-N
XLogP2.53
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Furfenorex
CID 26762
(1-Hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium
CID 41493323
(+/-)-threo-N-(2-Methylfuran)methylphenidate
CID 52947085
(R)-cyclohexyl-[5-[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]furan-2-yl]-phenylmethanol iodide
CID 44627857
4-({3-(2-Hydroxyethyl)-4-[(5-methyl-2-furyl)methyl]-1-piperazinyl}methyl)phenol
CID 16187707
[1-[(5-methyl-2-furyl)methyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidin-4-yl]methanol
CID 16187795
[1-[(5-ethyl-2-furyl)methyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidin-4-yl]methanol
CID 16188112
5-Morpholin-4-ylmethyl-2-phenyl-furan-3-carboxylic acid
CID 672004
1-Cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one
CID 10429124
4-((1E)-3-{3-(2-hydroxyethyl)-4-[(5-methyl-2-furyl)methyl]piperazin-1-yl}prop-1-en-1-yl)-2-methoxyphenol
CID 16189495
1-[(5-Phenyl-2-furyl)carbonothioyl]piperidine
CID 878187
2-[[Furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol
CID 4830955

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol (CID 97153592) is [(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol is C[C@H]1CO[C@H](CO)CN1Cc1ccc(-c2ccccc2)o1.
What is the InChIKey of [(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol?
The InChIKey is GJSFISRGKBDTRS-BBRMVZONSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13-12-20-16(11-19)10-18(13)9-15-7-8-17(21-15)14-5-3-2-4-6-14/h2-8,13,16,19H,9-12H2,1H3/t13-,16-/m0/s1.
What are the key properties of [(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol?
[(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol has a molecular weight of 287.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 97153592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).