[(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol

C19H20ClNO4 — CID 134711340

IUPAC[(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESOC[C@H]1OCCN(Cc2cc3c(cc2Cl)OCO3)[C@@H]1c1ccccc1
InChIInChI=1S/C19H20ClNO4/c20-15-9-17-16(24-12-25-17)8-14(15)10-21-6-7-23-18(11-22)19(21)13-4-2-1-3-5-13/h1-5,8-9,18-19,22H,6-7,10-12H2/t18-,19-/m1/s1
InChIKeySNQACZDKWTYPGC-RTBURBONSA-N
MW361.83 g/mol
LogP3.00
Rot. Bonds4

About [(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol

[(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol (PubChem CID 134711340) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is [(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol
PubChem CID134711340
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name[(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESOC[C@H]1OCCN(Cc2cc3c(cc2Cl)OCO3)[C@@H]1c1ccccc1
InChIInChI=1S/C19H20ClNO4/c20-15-9-17-16(24-12-25-17)8-14(15)10-21-6-7-23-18(11-22)19(21)13-4-2-1-3-5-13/h1-5,8-9,18-19,22H,6-7,10-12H2/t18-,19-/m1/s1
InChIKeySNQACZDKWTYPGC-RTBURBONSA-N
XLogP3.00
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)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

[(2S,3R)-4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134703932
[(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 155911732
[(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134706044
[(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134702161
[(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134712032
[(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134709769
2-[3-[[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methyl]phenoxy]ethanol
CID 134699437
[(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
[(2R,3S)-3-(2-chlorophenyl)-4-[(4-methylphenyl)methyl]morpholin-2-yl]methanol
CID 155917841
[(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol
CID 134709535
[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25479616

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
The IUPAC name of [(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol (CID 134711340) is [(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol is OC[C@H]1OCCN(Cc2cc3c(cc2Cl)OCO3)[C@@H]1c1ccccc1.
What is the InChIKey of [(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
The InChIKey is SNQACZDKWTYPGC-RTBURBONSA-N. The full InChI is InChI=1S/C19H20ClNO4/c20-15-9-17-16(24-12-25-17)8-14(15)10-21-6-7-23-18(11-22)19(21)13-4-2-1-3-5-13/h1-5,8-9,18-19,22H,6-7,10-12H2/t18-,19-/m1/s1.
What are the key properties of [(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
[(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol has a molecular weight of 361.83 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol is sourced from PubChem (CID 134711340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).