7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one

C9H8ClNO2 — CID 66545201

IUPAC7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one
SMILESCc1cc2c(c(Cl)c1O)C(=O)NC2
InChIInChI=1S/C9H8ClNO2/c1-4-2-5-3-11-9(13)6(5)7(10)8(4)12/h2,12H,3H2,1H3,(H,11,13)
InChIKeyQVDBWIVQDRJMDO-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.60
Rot. Bonds

About 7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one

7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one (PubChem CID 66545201) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one
PubChem CID66545201
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one
SMILESCc1cc2c(c(Cl)c1O)C(=O)NC2
InChIInChI=1S/C9H8ClNO2/c1-4-2-5-3-11-9(13)6(5)7(10)8(4)12/h2,12H,3H2,1H3,(H,11,13)
InChIKeyQVDBWIVQDRJMDO-UHFFFAOYSA-N
XLogP1.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one (CID 66545201) is 7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one is Cc1cc2c(c(Cl)c1O)C(=O)NC2.
What is the InChIKey of 7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one?
The InChIKey is QVDBWIVQDRJMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-4-2-5-3-11-9(13)6(5)7(10)8(4)12/h2,12H,3H2,1H3,(H,11,13).
What are the key properties of 7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one?
7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one has a molecular weight of 197.62 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 66545201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).