[(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol

C20H24ClNO4 — CID 134706044

IUPAC[(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESCOc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c(Cl)c1OC
InChIInChI=1S/C20H24ClNO4/c1-24-16-9-8-15(18(21)20(16)25-2)12-22-10-11-26-17(13-23)19(22)14-6-4-3-5-7-14/h3-9,17,19,23H,10-13H2,1-2H3/t17-,19-/m1/s1
InChIKeyAOKDVUONECXBJE-IEBWSBKVSA-N
MW377.87 g/mol
LogP3.29
Rot. Bonds6

About [(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol

[(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol (PubChem CID 134706044) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is [(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
PubChem CID134706044
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC Name[(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESCOc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c(Cl)c1OC
InChIInChI=1S/C20H24ClNO4/c1-24-16-9-8-15(18(21)20(16)25-2)12-22-10-11-26-17(13-23)19(22)14-6-4-3-5-7-14/h3-9,17,19,23H,10-13H2,1-2H3/t17-,19-/m1/s1
InChIKeyAOKDVUONECXBJE-IEBWSBKVSA-N
XLogP3.29
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3R)-4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134703932
[(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134712032
[(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134711340
[(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134709769
[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol
CID 134704493
[(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 155911732
[(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134702161
[(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol
CID 134709535
[(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol
CID 155918000
5-[[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]methyl]-2-methoxybenzoic acid
CID 135102230
[(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134704142
[(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134711284

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
The IUPAC name of [(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol (CID 134706044) is [(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol is COc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c(Cl)c1OC.
What is the InChIKey of [(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
The InChIKey is AOKDVUONECXBJE-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-24-16-9-8-15(18(21)20(16)25-2)12-22-10-11-26-17(13-23)19(22)14-6-4-3-5-7-14/h3-9,17,19,23H,10-13H2,1-2H3/t17-,19-/m1/s1.
What are the key properties of [(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
[(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol has a molecular weight of 377.87 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol is sourced from PubChem (CID 134706044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).