2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol

C18H23NO3S — CID 111977230

IUPAC2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
SMILESCOc1cccc(CN2CCOCC2CC(O)c2cccs2)c1
InChIInChI=1S/C18H23NO3S/c1-21-16-5-2-4-14(10-16)12-19-7-8-22-13-15(19)11-17(20)18-6-3-9-23-18/h2-6,9-10,15,17,20H,7-8,11-13H2,1H3
InChIKeyXSUCFVKPWDOLQF-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.08
Rot. Bonds6

About 2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol

2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol (PubChem CID 111977230) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
PubChem CID111977230
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
SMILESCOc1cccc(CN2CCOCC2CC(O)c2cccs2)c1
InChIInChI=1S/C18H23NO3S/c1-21-16-5-2-4-14(10-16)12-19-7-8-22-13-15(19)11-17(20)18-6-3-9-23-18/h2-6,9-10,15,17,20H,7-8,11-13H2,1H3
InChIKeyXSUCFVKPWDOLQF-UHFFFAOYSA-N
XLogP3.08
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 96535639
2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976087
2-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976076
2-[4-(2-ethylsulfanylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976091
(1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 124734755
(1R)-2-[(3S)-4-[(2-nitrophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 129471112
3-[[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122029381
[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 163376784
(2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one
CID 122140829
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858547
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
CID 86943303
N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide
CID 56897356

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol (CID 111977230) is 2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol is COc1cccc(CN2CCOCC2CC(O)c2cccs2)c1.
What is the InChIKey of 2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol?
The InChIKey is XSUCFVKPWDOLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-21-16-5-2-4-14(10-16)12-19-7-8-22-13-15(19)11-17(20)18-6-3-9-23-18/h2-6,9-10,15,17,20H,7-8,11-13H2,1H3.
What are the key properties of 2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol?
2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol has a molecular weight of 333.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxyphenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol is sourced from PubChem (CID 111977230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).