[(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol

C19H21F2NO3 — CID 134712032

IUPAC[(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESCOc1cc(F)c(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c(F)c1
InChIInChI=1S/C19H21F2NO3/c1-24-14-9-16(20)15(17(21)10-14)11-22-7-8-25-18(12-23)19(22)13-5-3-2-4-6-13/h2-6,9-10,18-19,23H,7-8,11-12H2,1H3/t18-,19-/m1/s1
InChIKeyJUCBHNYFMDIZQO-RTBURBONSA-N
MW349.38 g/mol
LogP2.91
Rot. Bonds5

About [(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol

[(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol (PubChem CID 134712032) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is [(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
PubChem CID134712032
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name[(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESCOc1cc(F)c(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c(F)c1
InChIInChI=1S/C19H21F2NO3/c1-24-14-9-16(20)15(17(21)10-14)11-22-7-8-25-18(12-23)19(22)13-5-3-2-4-6-13/h2-6,9-10,18-19,23H,7-8,11-12H2,1H3/t18-,19-/m1/s1
InChIKeyJUCBHNYFMDIZQO-RTBURBONSA-N
XLogP2.91
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-((1-Isopropylpiperidin-4-yl)oxy)benzyl)morpholine
CID 9858195
1-[[4-(1-Propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidin-4-ol
CID 9880698
1-[(4-Phenylmethoxyphenyl)methyl]piperidin-4-ol
CID 3574233
1-(3-Fluoro-4-methoxyphenyl)-3-(morpholin-4-yl)-2-phenylpropan-1-ol--hydrogen chloride (1/1)
CID 3066418
2-{1-(4-ethoxybenzyl)-4-[(2E)-3-(4-methoxyphenyl)-2-propen-1-yl]-2-piperazinyl}ethanol
CID 16188705
1-(3-Methylpiperidyl)-3-(4-phenylphenoxy)propan-2-ol
CID 16318028
1-[(4-Butoxyphenyl)methyl]piperidin-4-ol
CID 2055522
(2R)-3-[(2R,6S)-2,6-bis[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]propane-1,2-diol
CID 49778923
(2S,4R,5R)-2-benzhydryl-5-[(3-fluoro-4-methoxyphenyl)methylamino]oxan-4-ol
CID 117642561
(2S,4R,5R)-2-benzhydryl-5-[(2-fluoro-4-methoxyphenyl)methylamino]oxan-4-ol
CID 117642636
(R)-2-((3,3-diphenylallyl)(1-(4-methoxyphenyl)ethyl)amino)ethanol
CID 155689931
1-(3,4-dihydro-2(1H)-isoquinolinyl)-3-(4-propylphenoxy)-2-propanol hydrochloride
CID 2945031

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
The IUPAC name of [(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol (CID 134712032) is [(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol is COc1cc(F)c(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c(F)c1.
What is the InChIKey of [(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
The InChIKey is JUCBHNYFMDIZQO-RTBURBONSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-24-14-9-16(20)15(17(21)10-14)11-22-7-8-25-18(12-23)19(22)13-5-3-2-4-6-13/h2-6,9-10,18-19,23H,7-8,11-12H2,1H3/t18-,19-/m1/s1.
What are the key properties of [(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
[(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol has a molecular weight of 349.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol is sourced from PubChem (CID 134712032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).