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

C11H14ClNO4 — CID 171184949

IUPAC(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCOc1cc([C@H]2CCOC(=O)N2)ccc1O.Cl
InChIInChI=1S/C11H13NO4.ClH/c1-15-10-6-7(2-3-9(10)13)8-4-5-16-11(14)12-8;/h2-3,6,8,13H,4-5H2,1H3,(H,12,14);1H/t8-;/m1./s1
InChIKeyQTDHRUYXRKIVQY-DDWIOCJRSA-N
MW259.69 g/mol
LogP1.99
Rot. Bonds2

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

(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171184949) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is (4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171184949
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCOc1cc([C@H]2CCOC(=O)N2)ccc1O.Cl
InChIInChI=1S/C11H13NO4.ClH/c1-15-10-6-7(2-3-9(10)13)8-4-5-16-11(14)12-8;/h2-3,6,8,13H,4-5H2,1H3,(H,12,14);1H/t8-;/m1./s1
InChIKeyQTDHRUYXRKIVQY-DDWIOCJRSA-N
XLogP1.99
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.99
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-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185050
(4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185245
(4R)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,3-oxazinan-2-one
CID 171185353
(4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131593675
(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one
CID 171185502
(4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171185100
(4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484934
(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185449
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130067438
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
CID 699519

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171184949) is (4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride is COc1cc([C@H]2CCOC(=O)N2)ccc1O.Cl.
What is the InChIKey of (4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is QTDHRUYXRKIVQY-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H13NO4.ClH/c1-15-10-6-7(2-3-9(10)13)8-4-5-16-11(14)12-8;/h2-3,6,8,13H,4-5H2,1H3,(H,12,14);1H/t8-;/m1./s1.
What are the key properties of (4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 259.69 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171184949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).