1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate

C12H13NO3 — CID 174951499

IUPAC1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate
SMILESCC(OC=O)c1c[nH]c2cccc(CO)c12
InChIInChI=1S/C12H13NO3/c1-8(16-7-15)10-5-13-11-4-2-3-9(6-14)12(10)11/h2-5,7-8,13-14H,6H2,1H3
InChIKeyBWNFMAJQAUHBJO-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.89
Rot. Bonds4

About 1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate

1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate (PubChem CID 174951499) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate
PubChem CID174951499
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate
SMILESCC(OC=O)c1c[nH]c2cccc(CO)c12
InChIInChI=1S/C12H13NO3/c1-8(16-7-15)10-5-13-11-4-2-3-9(6-14)12(10)11/h2-5,7-8,13-14H,6H2,1H3
InChIKeyBWNFMAJQAUHBJO-UHFFFAOYSA-N
XLogP1.89
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-6-phenylmethoxy-1H-indol-3-yl)ethyl formate
CID 174389562
1-(6-amino-1H-indol-3-yl)ethyl formate
CID 174775620
[3-(1-formyloxyethyl)-1H-indol-6-yl] benzoate
CID 174465412
(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol
CID 83173825
1-(4-methoxy-1H-indol-3-yl)ethanol
CID 117194998
1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate
CID 174951490
4-methyl-3-propan-2-yl-1H-indole
CID 123915873
4-ethyl-3-methylsulfanyl-1H-indole
CID 57002365
(1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol
CID 83173271
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate
CID 174446566
2-[(3-butan-2-yl-1H-indol-4-yl)oxy]acetic acid
CID 71737103
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate?
The IUPAC name of 1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate (CID 174951499) is 1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate.
What is the SMILES notation for 1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate?
The canonical SMILES for 1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate is CC(OC=O)c1c[nH]c2cccc(CO)c12.
What is the InChIKey of 1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate?
The InChIKey is BWNFMAJQAUHBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(16-7-15)10-5-13-11-4-2-3-9(6-14)12(10)11/h2-5,7-8,13-14H,6H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate?
1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate has a molecular weight of 219.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate is sourced from PubChem (CID 174951499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).