1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol

C27H31NO4 — CID 143010879

IUPAC1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol
SMILESCOc1ccc(OC)c(CC(O)(c2ccccc2)[C@@H]2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C27H31NO4/c1-30-24-13-14-25(31-2)22(17-24)18-27(29,23-11-7-4-8-12-23)26-20-28(15-16-32-26)19-21-9-5-3-6-10-21/h3-14,17,26,29H,15-16,18-20H2,1-2H3/t26-,27?/m0/s1
InChIKeyJMOOOMDLNFXEBB-QBHOUYDASA-N
MW433.55 g/mol
LogP4.04
Rot. Bonds8

About 1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol

1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol (PubChem CID 143010879) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol.

Molecular Properties

Compound Name1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol
PubChem CID143010879
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC Name1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol
SMILESCOc1ccc(OC)c(CC(O)(c2ccccc2)[C@@H]2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C27H31NO4/c1-30-24-13-14-25(31-2)22(17-24)18-27(29,23-11-7-4-8-12-23)26-20-28(15-16-32-26)19-21-9-5-3-6-10-21/h3-14,17,26,29H,15-16,18-20H2,1-2H3/t26-,27?/m0/s1
InChIKeyJMOOOMDLNFXEBB-QBHOUYDASA-N
XLogP4.04
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 69292293
1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol
CID 69292131
2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol
CID 59789302
(1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol
CID 159038319
2-(2,5-dimethoxyphenyl)-1-morpholin-2-yl-1-phenylethanol;hydrochloride
CID 69290815
(4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol
CID 70336164
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699
(1R)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-phenylethanol;hydrochloride
CID 69290774
2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-phenylethanol;hydrochloride
CID 69292927
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
(2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine
CID 70335932

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol?
The IUPAC name of 1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol (CID 143010879) is 1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol.
What is the SMILES notation for 1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol?
The canonical SMILES for 1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol is COc1ccc(OC)c(CC(O)(c2ccccc2)[C@@H]2CN(Cc3ccccc3)CCO2)c1.
What is the InChIKey of 1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol?
The InChIKey is JMOOOMDLNFXEBB-QBHOUYDASA-N. The full InChI is InChI=1S/C27H31NO4/c1-30-24-13-14-25(31-2)22(17-24)18-27(29,23-11-7-4-8-12-23)26-20-28(15-16-32-26)19-21-9-5-3-6-10-21/h3-14,17,26,29H,15-16,18-20H2,1-2H3/t26-,27?/m0/s1.
What are the key properties of 1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol?
1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol has a molecular weight of 433.55 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol is sourced from PubChem (CID 143010879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).