3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride

C18H20ClNO — CID 174345807

IUPAC3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride
SMILESCc1cn(-c2ccc(C(C)C)cc2)c2ccc(O)cc12.Cl
InChIInChI=1S/C18H19NO.ClH/c1-12(2)14-4-6-15(7-5-14)19-11-13(3)17-10-16(20)8-9-18(17)19;/h4-12,20H,1-3H3;1H
InChIKeyQGDXJIPHLCEFGT-UHFFFAOYSA-N
MW301.82 g/mol
LogP5.19
Rot. Bonds2

About 3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride

3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride (PubChem CID 174345807) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride
PubChem CID174345807
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride
SMILESCc1cn(-c2ccc(C(C)C)cc2)c2ccc(O)cc12.Cl
InChIInChI=1S/C18H19NO.ClH/c1-12(2)14-4-6-15(7-5-14)19-11-13(3)17-10-16(20)8-9-18(17)19;/h4-12,20H,1-3H3;1H
InChIKeyQGDXJIPHLCEFGT-UHFFFAOYSA-N
XLogP5.19
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.82
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride?
The IUPAC name of 3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride (CID 174345807) is 3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride.
What is the SMILES notation for 3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride?
The canonical SMILES for 3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride is Cc1cn(-c2ccc(C(C)C)cc2)c2ccc(O)cc12.Cl.
What is the InChIKey of 3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride?
The InChIKey is QGDXJIPHLCEFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.ClH/c1-12(2)14-4-6-15(7-5-14)19-11-13(3)17-10-16(20)8-9-18(17)19;/h4-12,20H,1-3H3;1H.
What are the key properties of 3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride?
3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride is sourced from PubChem (CID 174345807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).