1-benzyl-2-methyl-2,3-dihydroindol-4-ol

C16H17NO — CID 70918044

IUPAC1-benzyl-2-methyl-2,3-dihydroindol-4-ol
SMILESCC1Cc2c(O)cccc2N1Cc1ccccc1
InChIInChI=1S/C16H17NO/c1-12-10-14-15(8-5-9-16(14)18)17(12)11-13-6-3-2-4-7-13/h2-9,12,18H,10-11H2,1H3
InChIKeyRZLIAAVWFPZVKS-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.34
Rot. Bonds2

About 1-benzyl-2-methyl-2,3-dihydroindol-4-ol

1-benzyl-2-methyl-2,3-dihydroindol-4-ol (PubChem CID 70918044) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-benzyl-2-methyl-2,3-dihydroindol-4-ol.

Molecular Properties

Compound Name1-benzyl-2-methyl-2,3-dihydroindol-4-ol
PubChem CID70918044
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-benzyl-2-methyl-2,3-dihydroindol-4-ol
SMILESCC1Cc2c(O)cccc2N1Cc1ccccc1
InChIInChI=1S/C16H17NO/c1-12-10-14-15(8-5-9-16(14)18)17(12)11-13-6-3-2-4-7-13/h2-9,12,18H,10-11H2,1H3
InChIKeyRZLIAAVWFPZVKS-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-2,3-dihydroindol-4-ol?
The IUPAC name of 1-benzyl-2-methyl-2,3-dihydroindol-4-ol (CID 70918044) is 1-benzyl-2-methyl-2,3-dihydroindol-4-ol.
What is the SMILES notation for 1-benzyl-2-methyl-2,3-dihydroindol-4-ol?
The canonical SMILES for 1-benzyl-2-methyl-2,3-dihydroindol-4-ol is CC1Cc2c(O)cccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-2,3-dihydroindol-4-ol?
The InChIKey is RZLIAAVWFPZVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-10-14-15(8-5-9-16(14)18)17(12)11-13-6-3-2-4-7-13/h2-9,12,18H,10-11H2,1H3.
What are the key properties of 1-benzyl-2-methyl-2,3-dihydroindol-4-ol?
1-benzyl-2-methyl-2,3-dihydroindol-4-ol has a molecular weight of 239.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-2,3-dihydroindol-4-ol is sourced from PubChem (CID 70918044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).