3-(1-benzylindol-3-yl)propan-1-ol

C18H19NO — CID 2053700

IUPAC3-(1-benzylindol-3-yl)propan-1-ol
SMILESOCCCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C18H19NO/c20-12-6-9-16-14-19(13-15-7-2-1-3-8-15)18-11-5-4-10-17(16)18/h1-5,7-8,10-11,14,20H,6,9,12-13H2
InChIKeyDTPQJRUTRYGKPW-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.61
Rot. Bonds5

About 3-(1-benzylindol-3-yl)propan-1-ol

3-(1-benzylindol-3-yl)propan-1-ol (PubChem CID 2053700) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)propan-1-ol
PubChem CID2053700
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-(1-benzylindol-3-yl)propan-1-ol
SMILESOCCCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C18H19NO/c20-12-6-9-16-14-19(13-15-7-2-1-3-8-15)18-11-5-4-10-17(16)18/h1-5,7-8,10-11,14,20H,6,9,12-13H2
InChIKeyDTPQJRUTRYGKPW-UHFFFAOYSA-N
XLogP3.61
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)propan-1-ol?
The IUPAC name of 3-(1-benzylindol-3-yl)propan-1-ol (CID 2053700) is 3-(1-benzylindol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(1-benzylindol-3-yl)propan-1-ol?
The canonical SMILES for 3-(1-benzylindol-3-yl)propan-1-ol is OCCCc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 3-(1-benzylindol-3-yl)propan-1-ol?
The InChIKey is DTPQJRUTRYGKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-12-6-9-16-14-19(13-15-7-2-1-3-8-15)18-11-5-4-10-17(16)18/h1-5,7-8,10-11,14,20H,6,9,12-13H2.
What are the key properties of 3-(1-benzylindol-3-yl)propan-1-ol?
3-(1-benzylindol-3-yl)propan-1-ol has a molecular weight of 265.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)propan-1-ol is sourced from PubChem (CID 2053700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).