3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol

C20H25NO4 — CID 146438414

IUPAC3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol
SMILESOc1cccc(CCc2ccccc2OC[C@@H](O)CN2CCOC2)c1
InChIInChI=1S/C20H25NO4/c22-18-6-3-4-16(12-18)8-9-17-5-1-2-7-20(17)25-14-19(23)13-21-10-11-24-15-21/h1-7,12,19,22-23H,8-11,13-15H2/t19-/m0/s1
InChIKeyZKKISHNELIPKLW-IBGZPJMESA-N
MW343.42 g/mol
LogP2.21
Rot. Bonds8

About 3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol

3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol (PubChem CID 146438414) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol
PubChem CID146438414
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol
SMILESOc1cccc(CCc2ccccc2OC[C@@H](O)CN2CCOC2)c1
InChIInChI=1S/C20H25NO4/c22-18-6-3-4-16(12-18)8-9-17-5-1-2-7-20(17)25-14-19(23)13-21-10-11-24-15-21/h1-7,12,19,22-23H,8-11,13-15H2/t19-/m0/s1
InChIKeyZKKISHNELIPKLW-IBGZPJMESA-N
XLogP2.21
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 157064846
3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol
CID 167610918
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
[2-hydroxy-3-[2-[4-(3-hydroxyphenyl)butyl]phenoxy]propyl]-dimethylazanium chloride
CID 10833606
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
3-(2-morpholin-4-ylethyl)phenol
CID 82187913
1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 158523220
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 43253326
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72898537
1-morpholin-4-yl-3-quinolin-8-yloxypropan-2-ol
CID 3069803
1-(2,3-dihydro-1H-inden-4-yloxy)-3-morpholin-4-ylpropan-2-ol
CID 3051477
3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol
CID 142468540

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol?
The IUPAC name of 3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol (CID 146438414) is 3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol.
What is the SMILES notation for 3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol?
The canonical SMILES for 3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol is Oc1cccc(CCc2ccccc2OC[C@@H](O)CN2CCOC2)c1.
What is the InChIKey of 3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol?
The InChIKey is ZKKISHNELIPKLW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO4/c22-18-6-3-4-16(12-18)8-9-17-5-1-2-7-20(17)25-14-19(23)13-21-10-11-24-15-21/h1-7,12,19,22-23H,8-11,13-15H2/t19-/m0/s1.
What are the key properties of 3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol?
3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol has a molecular weight of 343.42 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol is sourced from PubChem (CID 146438414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).