(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one

C11H13NO4 — CID 130067438

IUPAC(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESCCOc1cc([C@H]2COC(=O)N2)ccc1O
InChIInChI=1S/C11H13NO4/c1-2-15-10-5-7(3-4-9(10)13)8-6-16-11(14)12-8/h3-5,8,13H,2,6H2,1H3,(H,12,14)/t8-/m1/s1
InChIKeyAIOYWYBVZJVKLN-MRVPVSSYSA-N
MW223.23 g/mol
LogP1.57
Rot. Bonds3

About (4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one

(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 130067438) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one
PubChem CID130067438
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESCCOc1cc([C@H]2COC(=O)N2)ccc1O
InChIInChI=1S/C11H13NO4/c1-2-15-10-5-7(3-4-9(10)13)8-6-16-11(14)12-8/h3-5,8,13H,2,6H2,1H3,(H,12,14)/t8-/m1/s1
InChIKeyAIOYWYBVZJVKLN-MRVPVSSYSA-N
XLogP1.57
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129373304
(4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184614
4-[(2R)-azetidin-2-yl]-2-ethoxyphenol
CID 131080980
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619
(4S)-4-(3-ethoxy-4-hydroxyphenyl)imidazolidin-2-one
CID 131349347
(4R)-4-(3-ethoxy-4-hydroxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187777
(4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one
CID 171183868
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184949
4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol
CID 71138842
4-(3,4-diethoxyphenyl)azetidin-2-one
CID 131885056
(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 171184420
(4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185097

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one (CID 130067438) is (4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one is CCOc1cc([C@H]2COC(=O)N2)ccc1O.
What is the InChIKey of (4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is AIOYWYBVZJVKLN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-15-10-5-7(3-4-9(10)13)8-6-16-11(14)12-8/h3-5,8,13H,2,6H2,1H3,(H,12,14)/t8-/m1/s1.
What are the key properties of (4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one?
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 223.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130067438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).