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

C19H23NO3 — CID 134709769

IUPAC[(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESCOc1cccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-22-17-9-5-6-15(12-17)13-20-10-11-23-18(14-21)19(20)16-7-3-2-4-8-16/h2-9,12,18-19,21H,10-11,13-14H2,1H3/t18-,19-/m1/s1
InChIKeyWPDPEYDFCYVQTR-RTBURBONSA-N
MW313.40 g/mol
LogP2.63
Rot. Bonds5

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

[(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol (PubChem CID 134709769) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is [(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
PubChem CID134709769
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESCOc1cccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-22-17-9-5-6-15(12-17)13-20-10-11-23-18(14-21)19(20)16-7-3-2-4-8-16/h2-9,12,18-19,21H,10-11,13-14H2,1H3/t18-,19-/m1/s1
InChIKeyWPDPEYDFCYVQTR-RTBURBONSA-N
XLogP2.63
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methyl]phenoxy]ethanol
CID 134699437
[(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134712032
[(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134702161
[(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134704142
[(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134706044
[(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
(1R,6R,9R)-9-ethoxy-5-[(3-methoxyphenyl)methyl]-2-oxa-5-azabicyclo[4.2.1]nonane
CID 98817590
[(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134711340
[(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134711284
[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788535
[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol
CID 134712814

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
The IUPAC name of [(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol (CID 134709769) is [(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol is COc1cccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c1.
What is the InChIKey of [(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
The InChIKey is WPDPEYDFCYVQTR-RTBURBONSA-N. The full InChI is InChI=1S/C19H23NO3/c1-22-17-9-5-6-15(12-17)13-20-10-11-23-18(14-21)19(20)16-7-3-2-4-8-16/h2-9,12,18-19,21H,10-11,13-14H2,1H3/t18-,19-/m1/s1.
What are the key properties of [(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
[(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol has a molecular weight of 313.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol is sourced from PubChem (CID 134709769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).