1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate

C14H16ClNO2 — CID 174351169

IUPAC1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate
SMILESCC(OC=O)c1cn(C(C)C)c2ccc(Cl)cc12
InChIInChI=1S/C14H16ClNO2/c1-9(2)16-7-13(10(3)18-8-17)12-6-11(15)4-5-14(12)16/h4-10H,1-3H3
InChIKeyWOUHLRJRBHMRBR-UHFFFAOYSA-N
MW265.74 g/mol
LogP4.11
Rot. Bonds4

About 1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate

1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate (PubChem CID 174351169) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate.

Molecular Properties

Compound Name1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate
PubChem CID174351169
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate
SMILESCC(OC=O)c1cn(C(C)C)c2ccc(Cl)cc12
InChIInChI=1S/C14H16ClNO2/c1-9(2)16-7-13(10(3)18-8-17)12-6-11(15)4-5-14(12)16/h4-10H,1-3H3
InChIKeyWOUHLRJRBHMRBR-UHFFFAOYSA-N
XLogP4.11
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-1-propan-2-ylindole
CID 166553086
6-chloro-1-propan-2-ylindole-3-carbaldehyde
CID 117122246
3-chloro-1-propan-2-ylindole-5-carbaldehyde
CID 90356011
1-(6-chloro-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117196326
1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine
CID 117195612
4-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117175502
N-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopentanamine
CID 117175445
2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid
CID 117121168
2-(5-chloro-1-methylindol-3-yl)propanoic acid
CID 18175124
methyl 3-formyl-1-propan-2-ylindole-5-carboxylate
CID 90356150
2-(5-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117121064
(6-chloro-1-propan-2-ylindol-3-yl)methanamine
CID 117122224

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate?
The IUPAC name of 1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate (CID 174351169) is 1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate.
What is the SMILES notation for 1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate?
The canonical SMILES for 1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate is CC(OC=O)c1cn(C(C)C)c2ccc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate?
The InChIKey is WOUHLRJRBHMRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9(2)16-7-13(10(3)18-8-17)12-6-11(15)4-5-14(12)16/h4-10H,1-3H3.
What are the key properties of 1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate?
1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate has a molecular weight of 265.74 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-propan-2-ylindol-3-yl)ethyl formate is sourced from PubChem (CID 174351169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).