[(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol

C20H23ClFNO4 — CID 134709535

IUPAC[(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol
SMILESCOc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2c(F)cccc2Cl)cc1OC
InChIInChI=1S/C20H23ClFNO4/c1-25-17-7-6-13(10-18(17)26-2)20-19(12-24)27-9-8-23(20)11-14-15(21)4-3-5-16(14)22/h3-7,10,19-20,24H,8-9,11-12H2,1-2H3/t19-,20-/m1/s1
InChIKeyFSBMMAXZNHEZQC-WOJBJXKFSA-N
MW395.86 g/mol
LogP3.43
Rot. Bonds6

About [(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol

[(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol (PubChem CID 134709535) has the molecular formula C20H23ClFNO4 and a molecular weight of 395.86 g/mol. Its IUPAC name is [(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol
PubChem CID134709535
Molecular FormulaC20H23ClFNO4
Molecular Weight395.86 g/mol
Exact Mass395.13
IUPAC Name[(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol
SMILESCOc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2c(F)cccc2Cl)cc1OC
InChIInChI=1S/C20H23ClFNO4/c1-25-17-7-6-13(10-18(17)26-2)20-19(12-24)27-9-8-23(20)11-14-15(21)4-3-5-16(14)22/h3-7,10,19-20,24H,8-9,11-12H2,1-2H3/t19-,20-/m1/s1
InChIKeyFSBMMAXZNHEZQC-WOJBJXKFSA-N
XLogP3.43
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol with MolForge

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Related Compounds

[(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol
CID 155918000
[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(3-methylbutyl)morpholin-2-yl]methanol
CID 134706396
[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol
CID 134712814
5-[[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]methyl]-2-methoxybenzoic acid
CID 135102230
[(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134712032
[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[(2-methoxy-3,5-dimethylphenyl)methyl]morpholin-2-yl]methanol
CID 134704493
[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]methanol
CID 134704678
3-(2,4-difluorophenyl)-1-[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 134708050
cyclopentyl-[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]methanone
CID 134712153
1-[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 134697404
[(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134706044
[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 134708816

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol?
The IUPAC name of [(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol (CID 134709535) is [(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol is COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2c(F)cccc2Cl)cc1OC.
What is the InChIKey of [(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol?
The InChIKey is FSBMMAXZNHEZQC-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H23ClFNO4/c1-25-17-7-6-13(10-18(17)26-2)20-19(12-24)27-9-8-23(20)11-14-15(21)4-3-5-16(14)22/h3-7,10,19-20,24H,8-9,11-12H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of [(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol?
[(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol has a molecular weight of 395.86 g/mol, XLogP of 3.43, 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-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol is sourced from PubChem (CID 134709535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).