3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one

C18H17NO2 — CID 123439146

IUPAC3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one
SMILESCc1ccccc1C=CCN1C(=O)c2ccccc2C1O
InChIInChI=1S/C18H17NO2/c1-13-7-2-3-8-14(13)9-6-12-19-17(20)15-10-4-5-11-16(15)18(19)21/h2-11,17,20H,12H2,1H3
InChIKeyTVPVGESWEXBMMW-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.16
Rot. Bonds3

About 3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one

3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one (PubChem CID 123439146) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one
PubChem CID123439146
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one
SMILESCc1ccccc1C=CCN1C(=O)c2ccccc2C1O
InChIInChI=1S/C18H17NO2/c1-13-7-2-3-8-14(13)9-6-12-19-17(20)15-10-4-5-11-16(15)18(19)21/h2-11,17,20H,12H2,1H3
InChIKeyTVPVGESWEXBMMW-UHFFFAOYSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-but-2-enyl]-3-hydroxy-3H-isoindol-1-one
CID 121010627
3-hydroxy-2-(2-hydroxy-2-methylpropyl)-3H-isoindol-1-one
CID 143664494
3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one
CID 10658286
2-[(4-ethylphenyl)methyl]-3-hydroxy-3H-isoindol-1-one
CID 143155464
(E)-6-(1-hydroxy-3-oxo-1H-isoindol-2-yl)hex-2-enal
CID 171622818
2-[3-(4-cyclohexylphenyl)but-2-enyl]-3-hydroxy-3H-isoindol-1-one
CID 110209375
(3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one
CID 102270408
2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 141210941
3-hydroxy-2-(thiophen-2-ylmethyl)-3H-isoindol-1-one
CID 4616003
(Z)-4-(2-methylphenyl)but-3-enal
CID 117268062
3-hydroxy-2-[(4-methoxyphenyl)sulfanylmethyl]-3H-isoindol-1-one
CID 11174118
(3R)-3-hydroxy-2-(2-pyrrolidin-1-ium-1-ylethyl)-3H-isoindol-1-one
CID 7315757

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one (CID 123439146) is 3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one is Cc1ccccc1C=CCN1C(=O)c2ccccc2C1O.
What is the InChIKey of 3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one?
The InChIKey is TVPVGESWEXBMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-7-2-3-8-14(13)9-6-12-19-17(20)15-10-4-5-11-16(15)18(19)21/h2-11,17,20H,12H2,1H3.
What are the key properties of 3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one?
3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one has a molecular weight of 279.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one is sourced from PubChem (CID 123439146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).