(4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride

C10H12ClNO4 — CID 171184351

IUPAC(4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCOc1ccc(O)c([C@@H]2COC(=O)N2)c1.Cl
InChIInChI=1S/C10H11NO4.ClH/c1-14-6-2-3-9(12)7(4-6)8-5-15-10(13)11-8;/h2-4,8,12H,5H2,1H3,(H,11,13);1H/t8-;/m0./s1
InChIKeyKCDUOJMMLWGBOI-QRPNPIFTSA-N
MW245.66 g/mol
LogP1.60
Rot. Bonds2

About (4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride

(4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171184351) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is (4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171184351
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name(4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCOc1ccc(O)c([C@@H]2COC(=O)N2)c1.Cl
InChIInChI=1S/C10H11NO4.ClH/c1-14-6-2-3-9(12)7(4-6)8-5-15-10(13)11-8;/h2-4,8,12H,5H2,1H3,(H,11,13);1H/t8-;/m0./s1
InChIKeyKCDUOJMMLWGBOI-QRPNPIFTSA-N
XLogP1.60
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-(2,5-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184283
(4R)-4-(2-fluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 171184318
4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130147402
2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
CID 171196735
(4S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129373304
4-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 131539104
(4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184139
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
(4S)-4-(2,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484936
(4S)-4-(2-hydroxy-4-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187768
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171184351) is (4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride is COc1ccc(O)c([C@@H]2COC(=O)N2)c1.Cl.
What is the InChIKey of (4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is KCDUOJMMLWGBOI-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H11NO4.ClH/c1-14-6-2-3-9(12)7(4-6)8-5-15-10(13)11-8;/h2-4,8,12H,5H2,1H3,(H,11,13);1H/t8-;/m0./s1.
What are the key properties of (4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 245.66 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171184351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).