1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol

C19H21NO — CID 70527183

IUPAC1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol
SMILESCCC(O)n1c(C)c(-c2ccccc2C)c2ccccc21
InChIInChI=1S/C19H21NO/c1-4-18(21)20-14(3)19(15-10-6-5-9-13(15)2)16-11-7-8-12-17(16)20/h5-12,18,21H,4H2,1-3H3
InChIKeyORBMNTUQENDZSV-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.83
Rot. Bonds3

About 1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol

1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol (PubChem CID 70527183) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol
PubChem CID70527183
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol
SMILESCCC(O)n1c(C)c(-c2ccccc2C)c2ccccc21
InChIInChI=1S/C19H21NO/c1-4-18(21)20-14(3)19(15-10-6-5-9-13(15)2)16-11-7-8-12-17(16)20/h5-12,18,21H,4H2,1-3H3
InChIKeyORBMNTUQENDZSV-UHFFFAOYSA-N
XLogP4.83
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol?
The IUPAC name of 1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol (CID 70527183) is 1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol.
What is the SMILES notation for 1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol?
The canonical SMILES for 1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol is CCC(O)n1c(C)c(-c2ccccc2C)c2ccccc21.
What is the InChIKey of 1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol?
The InChIKey is ORBMNTUQENDZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-4-18(21)20-14(3)19(15-10-6-5-9-13(15)2)16-11-7-8-12-17(16)20/h5-12,18,21H,4H2,1-3H3.
What are the key properties of 1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol?
1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(2-methylphenyl)indol-1-yl]propan-1-ol is sourced from PubChem (CID 70527183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).