(3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one

C10H11NO3 — CID 820535

IUPAC(3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one
SMILESCOc1cccc2c1C(=O)N(C)[C@@H]2O
InChIInChI=1S/C10H11NO3/c1-11-9(12)6-4-3-5-7(14-2)8(6)10(11)13/h3-5,9,12H,1-2H3/t9-/m1/s1
InChIKeyQIAHGDFHWNBFNK-SECBINFHSA-N
MW193.20 g/mol
LogP0.77
Rot. Bonds1

About (3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one

(3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one (PubChem CID 820535) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one
PubChem CID820535
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one
SMILESCOc1cccc2c1C(=O)N(C)[C@@H]2O
InChIInChI=1S/C10H11NO3/c1-11-9(12)6-4-3-5-7(14-2)8(6)10(11)13/h3-5,9,12H,1-2H3/t9-/m1/s1
InChIKeyQIAHGDFHWNBFNK-SECBINFHSA-N
XLogP0.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile
CID 110448244
2-(2-hydroxyethyl)-4-methoxy-3-oxo-1H-isoindole-1-carbonitrile
CID 110448248
(3R,4S)-4-benzyl-3-hydroxy-2,8-dimethoxy-3,4-dihydroisoquinolin-1-one
CID 134961895
1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol
CID 12651971
7-methoxy-2-methyl-3H-isoindol-1-one
CID 84717848
3-bromo-7-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 150666974
(7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol
CID 12996468
8-methoxy-4-methyl-4H-isochromene-1,3-dione
CID 11790367
4-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-oxo-1H-isoindole-1-carbonitrile
CID 110448305
(3aS,9bS)-6-methoxy-1,1,3-trimethyl-3a,4,5,9b-tetrahydrobenzo[e]indol-2-one
CID 10730003
4-acetyl-8-methoxy-4H-isochromene-1,3-dione
CID 121010360
(3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 11608195

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one?
The IUPAC name of (3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one (CID 820535) is (3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for (3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one?
The canonical SMILES for (3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one is COc1cccc2c1C(=O)N(C)[C@@H]2O.
What is the InChIKey of (3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one?
The InChIKey is QIAHGDFHWNBFNK-SECBINFHSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-9(12)6-4-3-5-7(14-2)8(6)10(11)13/h3-5,9,12H,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one?
(3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one has a molecular weight of 193.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 820535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).