4-methyl-2-(2-methylpropyl)isoindol-1-ol

C13H17NO — CID 91473058

IUPAC4-methyl-2-(2-methylpropyl)isoindol-1-ol
SMILESCc1cccc2c(O)n(CC(C)C)cc12
InChIInChI=1S/C13H17NO/c1-9(2)7-14-8-12-10(3)5-4-6-11(12)13(14)15/h4-6,8-9,15H,7H2,1-3H3
InChIKeyKGXYOOOJKCXGAN-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.31
Rot. Bonds2

About 4-methyl-2-(2-methylpropyl)isoindol-1-ol

4-methyl-2-(2-methylpropyl)isoindol-1-ol (PubChem CID 91473058) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)isoindol-1-ol.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)isoindol-1-ol
PubChem CID91473058
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-methyl-2-(2-methylpropyl)isoindol-1-ol
SMILESCc1cccc2c(O)n(CC(C)C)cc12
InChIInChI=1S/C13H17NO/c1-9(2)7-14-8-12-10(3)5-4-6-11(12)13(14)15/h4-6,8-9,15H,7H2,1-3H3
InChIKeyKGXYOOOJKCXGAN-UHFFFAOYSA-N
XLogP3.31
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 162159355
1-(bromomethyl)-5-methylnaphthalene
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5-methyl-2-propan-2-ylnaphthalen-1-ol
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[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol
CID 82268659
1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol
CID 82268661
1-(4-methylindol-1-yl)propan-2-ol
CID 10631504
(2S)-1-(4-methylindol-1-yl)propan-2-ol
CID 67737659
6-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11253823
3-chloro-1-(2-methylpropyl)indole
CID 174585966
2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 112553363
(3-methylphenyl) 2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)isoindol-1-ol?
The IUPAC name of 4-methyl-2-(2-methylpropyl)isoindol-1-ol (CID 91473058) is 4-methyl-2-(2-methylpropyl)isoindol-1-ol.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)isoindol-1-ol?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)isoindol-1-ol is Cc1cccc2c(O)n(CC(C)C)cc12.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)isoindol-1-ol?
The InChIKey is KGXYOOOJKCXGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)7-14-8-12-10(3)5-4-6-11(12)13(14)15/h4-6,8-9,15H,7H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)isoindol-1-ol?
4-methyl-2-(2-methylpropyl)isoindol-1-ol has a molecular weight of 203.28 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)isoindol-1-ol is sourced from PubChem (CID 91473058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).