1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol

C19H25NO — CID 63464654

IUPAC1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
SMILESCCCCc1ccc(-n2c(C)cc3c2CCCC3O)cc1
InChIInChI=1S/C19H25NO/c1-3-4-6-15-9-11-16(12-10-15)20-14(2)13-17-18(20)7-5-8-19(17)21/h9-13,19,21H,3-8H2,1-2H3
InChIKeySPKHKNQZRWSZRA-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.50
Rot. Bonds4

About 1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol

1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 63464654) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
PubChem CID63464654
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
SMILESCCCCc1ccc(-n2c(C)cc3c2CCCC3O)cc1
InChIInChI=1S/C19H25NO/c1-3-4-6-15-9-11-16(12-10-15)20-14(2)13-17-18(20)7-5-8-19(17)21/h9-13,19,21H,3-8H2,1-2H3
InChIKeySPKHKNQZRWSZRA-UHFFFAOYSA-N
XLogP4.50
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol (CID 63464654) is 1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol is CCCCc1ccc(-n2c(C)cc3c2CCCC3O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is SPKHKNQZRWSZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-4-6-15-9-11-16(12-10-15)20-14(2)13-17-18(20)7-5-8-19(17)21/h9-13,19,21H,3-8H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 283.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 63464654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).