2-(1-benzylindol-3-yl)ethanol

C17H17NO — CID 13134935

IUPAC2-(1-benzylindol-3-yl)ethanol
SMILESOCCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H17NO/c19-11-10-15-13-18(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17/h1-9,13,19H,10-12H2
InChIKeyOHJVNPUMZAKAQG-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.22
Rot. Bonds4

About 2-(1-benzylindol-3-yl)ethanol

2-(1-benzylindol-3-yl)ethanol (PubChem CID 13134935) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzylindol-3-yl)ethanol
PubChem CID13134935
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(1-benzylindol-3-yl)ethanol
SMILESOCCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H17NO/c19-11-10-15-13-18(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17/h1-9,13,19H,10-12H2
InChIKeyOHJVNPUMZAKAQG-UHFFFAOYSA-N
XLogP3.22
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-but-3-enylindole
CID 174396068
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid
CID 45275194
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
1-(1-benzylindol-3-yl)-4-ethylsulfinylpentan-3-one
CID 71397780
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine
CID 101017415
3-[1-[(3-fluorophenyl)methyl]indol-3-yl]propanoic acid
CID 43825874
3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
CID 4616426

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)ethanol?
The IUPAC name of 2-(1-benzylindol-3-yl)ethanol (CID 13134935) is 2-(1-benzylindol-3-yl)ethanol.
What is the SMILES notation for 2-(1-benzylindol-3-yl)ethanol?
The canonical SMILES for 2-(1-benzylindol-3-yl)ethanol is OCCc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(1-benzylindol-3-yl)ethanol?
The InChIKey is OHJVNPUMZAKAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-11-10-15-13-18(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17/h1-9,13,19H,10-12H2.
What are the key properties of 2-(1-benzylindol-3-yl)ethanol?
2-(1-benzylindol-3-yl)ethanol has a molecular weight of 251.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-3-yl)ethanol is sourced from PubChem (CID 13134935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).