2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol

C18H19NO — CID 175094340

IUPAC2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol
SMILESCc1ccc(-n2cc(C(C)(C)O)c3ccccc32)cc1
InChIInChI=1S/C18H19NO/c1-13-8-10-14(11-9-13)19-12-16(18(2,3)20)15-6-4-5-7-17(15)19/h4-12,20H,1-3H3
InChIKeyCFIWVJDBMUSFAM-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.17
Rot. Bonds2

About 2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol

2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol (PubChem CID 175094340) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol
PubChem CID175094340
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol
SMILESCc1ccc(-n2cc(C(C)(C)O)c3ccccc32)cc1
InChIInChI=1S/C18H19NO/c1-13-8-10-14(11-9-13)19-12-16(18(2,3)20)15-6-4-5-7-17(15)19/h4-12,20H,1-3H3
InChIKeyCFIWVJDBMUSFAM-UHFFFAOYSA-N
XLogP4.17
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol (CID 175094340) is 2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol is Cc1ccc(-n2cc(C(C)(C)O)c3ccccc32)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol?
The InChIKey is CFIWVJDBMUSFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-8-10-14(11-9-13)19-12-16(18(2,3)20)15-6-4-5-7-17(15)19/h4-12,20H,1-3H3.
What are the key properties of 2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol?
2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol has a molecular weight of 265.36 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol is sourced from PubChem (CID 175094340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).