2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one

C10H11NO3 — CID 70313346

IUPAC2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)C(=O)N(CO)C2
InChIInChI=1S/C10H11NO3/c1-14-8-3-2-7-5-11(6-12)10(13)9(7)4-8/h2-4,12H,5-6H2,1H3
InChIKeyKGJHKNZJWACKIX-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.60
Rot. Bonds2

About 2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one

2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one (PubChem CID 70313346) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one
PubChem CID70313346
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)C(=O)N(CO)C2
InChIInChI=1S/C10H11NO3/c1-14-8-3-2-7-5-11(6-12)10(13)9(7)4-8/h2-4,12H,5-6H2,1H3
InChIKeyKGJHKNZJWACKIX-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(iodomethyl)-6-methoxy-3H-isoindol-1-one
CID 70233754
4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 118161020
5-ethyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 75224389
5-methoxy-N'-methyl-3-oxo-1H-isoindole-2-carboximidamide
CID 123992851
2-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-5-yl]acetic acid
CID 174188826
methyl 2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindole-5-carboxylate
CID 58243740
8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one
CID 22904998
(2S)-N-carbamoyl-2-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]but-3-ynamide
CID 118927873
2-ethyl-6-methoxy-3H-isoindole-1-thione
CID 143510282
5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 22594208
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 46881522
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143512854

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one?
The IUPAC name of 2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one (CID 70313346) is 2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one?
The canonical SMILES for 2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one is COc1ccc2c(c1)C(=O)N(CO)C2.
What is the InChIKey of 2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one?
The InChIKey is KGJHKNZJWACKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-8-3-2-7-5-11(6-12)10(13)9(7)4-8/h2-4,12H,5-6H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one?
2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one has a molecular weight of 193.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one is sourced from PubChem (CID 70313346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).