[1-(hydroxymethyl)indol-4-yl]methanol

C10H11NO2 — CID 129249901

IUPAC[1-(hydroxymethyl)indol-4-yl]methanol
SMILESOCc1cccc2c1ccn2CO
InChIInChI=1S/C10H11NO2/c12-6-8-2-1-3-10-9(8)4-5-11(10)7-13/h1-5,12-13H,6-7H2
InChIKeyVWRIQSBVUOXLME-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.08
Rot. Bonds2

About [1-(hydroxymethyl)indol-4-yl]methanol

[1-(hydroxymethyl)indol-4-yl]methanol (PubChem CID 129249901) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is [1-(hydroxymethyl)indol-4-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)indol-4-yl]methanol
PubChem CID129249901
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name[1-(hydroxymethyl)indol-4-yl]methanol
SMILESOCc1cccc2c1ccn2CO
InChIInChI=1S/C10H11NO2/c12-6-8-2-1-3-10-9(8)4-5-11(10)7-13/h1-5,12-13H,6-7H2
InChIKeyVWRIQSBVUOXLME-UHFFFAOYSA-N
XLogP1.08
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(hydroxymethyl)indol-1-yl]acetamide
CID 28947081
[1-(3,3,3-trifluoropropyl)indol-4-yl]methanol
CID 64566330
[1-(4,4,4-trifluorobutyl)indol-4-yl]methanol
CID 113326659
[1-[(2-phenylethylamino)methyl]indol-4-yl]methanol
CID 70491880
[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indol-4-yl]methanol
CID 66364392
indolizin-8-ylmethanol
CID 134862456
1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol
CID 65279152
N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide
CID 176845587
2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol
CID 176845640
2-(4-bromoindol-1-yl)ethanol
CID 66827454
N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine
CID 79186431
1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol
CID 114249890

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)indol-4-yl]methanol?
The IUPAC name of [1-(hydroxymethyl)indol-4-yl]methanol (CID 129249901) is [1-(hydroxymethyl)indol-4-yl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)indol-4-yl]methanol?
The canonical SMILES for [1-(hydroxymethyl)indol-4-yl]methanol is OCc1cccc2c1ccn2CO.
What is the InChIKey of [1-(hydroxymethyl)indol-4-yl]methanol?
The InChIKey is VWRIQSBVUOXLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-8-2-1-3-10-9(8)4-5-11(10)7-13/h1-5,12-13H,6-7H2.
What are the key properties of [1-(hydroxymethyl)indol-4-yl]methanol?
[1-(hydroxymethyl)indol-4-yl]methanol has a molecular weight of 177.20 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)indol-4-yl]methanol is sourced from PubChem (CID 129249901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).