3-(4-methylphenyl)-1-propylisoindol-1-ol

C18H19NO — CID 138976480

IUPAC3-(4-methylphenyl)-1-propylisoindol-1-ol
SMILESCCCC1(O)N=C(c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C18H19NO/c1-3-12-18(20)16-7-5-4-6-15(16)17(19-18)14-10-8-13(2)9-11-14/h4-11,20H,3,12H2,1-2H3
InChIKeyHOZQQQJLTWAVMT-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.79
Rot. Bonds3

About 3-(4-methylphenyl)-1-propylisoindol-1-ol

3-(4-methylphenyl)-1-propylisoindol-1-ol (PubChem CID 138976480) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-propylisoindol-1-ol.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-propylisoindol-1-ol
PubChem CID138976480
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-(4-methylphenyl)-1-propylisoindol-1-ol
SMILESCCCC1(O)N=C(c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C18H19NO/c1-3-12-18(20)16-7-5-4-6-15(16)17(19-18)14-10-8-13(2)9-11-14/h4-11,20H,3,12H2,1-2H3
InChIKeyHOZQQQJLTWAVMT-UHFFFAOYSA-N
XLogP3.79
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-propylisoindol-1-ol?
The IUPAC name of 3-(4-methylphenyl)-1-propylisoindol-1-ol (CID 138976480) is 3-(4-methylphenyl)-1-propylisoindol-1-ol.
What is the SMILES notation for 3-(4-methylphenyl)-1-propylisoindol-1-ol?
The canonical SMILES for 3-(4-methylphenyl)-1-propylisoindol-1-ol is CCCC1(O)N=C(c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of 3-(4-methylphenyl)-1-propylisoindol-1-ol?
The InChIKey is HOZQQQJLTWAVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-12-18(20)16-7-5-4-6-15(16)17(19-18)14-10-8-13(2)9-11-14/h4-11,20H,3,12H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-1-propylisoindol-1-ol?
3-(4-methylphenyl)-1-propylisoindol-1-ol has a molecular weight of 265.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-propylisoindol-1-ol is sourced from PubChem (CID 138976480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).