2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol

C19H21NO — CID 156634893

IUPAC2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol
SMILESCc1ccc(C)c(-n2cc(C(C)(C)O)c3ccccc32)c1
InChIInChI=1S/C19H21NO/c1-13-9-10-14(2)18(11-13)20-12-16(19(3,4)21)15-7-5-6-8-17(15)20/h5-12,21H,1-4H3
InChIKeyKEEVGAWAWBITSE-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.47
Rot. Bonds2

About 2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol

2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol (PubChem CID 156634893) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol
PubChem CID156634893
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol
SMILESCc1ccc(C)c(-n2cc(C(C)(C)O)c3ccccc32)c1
InChIInChI=1S/C19H21NO/c1-13-9-10-14(2)18(11-13)20-12-16(19(3,4)21)15-7-5-6-8-17(15)20/h5-12,21H,1-4H3
InChIKeyKEEVGAWAWBITSE-UHFFFAOYSA-N
XLogP4.47
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol (CID 156634893) is 2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol is Cc1ccc(C)c(-n2cc(C(C)(C)O)c3ccccc32)c1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol?
The InChIKey is KEEVGAWAWBITSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-9-10-14(2)18(11-13)20-12-16(19(3,4)21)15-7-5-6-8-17(15)20/h5-12,21H,1-4H3.
What are the key properties of 2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol?
2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol is sourced from PubChem (CID 156634893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).