2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid

C13H14ClNO3 — CID 83945122

IUPAC2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid
SMILESCc1c(Cl)ccc2c(CC(=O)O)cn(CCO)c12
InChIInChI=1S/C13H14ClNO3/c1-8-11(14)3-2-10-9(6-12(17)18)7-15(4-5-16)13(8)10/h2-3,7,16H,4-6H2,1H3,(H,17,18)
InChIKeyJQHFCXWDJWRBBN-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.22
Rot. Bonds4

About 2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid

2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid (PubChem CID 83945122) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid
PubChem CID83945122
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid
SMILESCc1c(Cl)ccc2c(CC(=O)O)cn(CCO)c12
InChIInChI=1S/C13H14ClNO3/c1-8-11(14)3-2-10-9(6-12(17)18)7-15(4-5-16)13(8)10/h2-3,7,16H,4-6H2,1H3,(H,17,18)
InChIKeyJQHFCXWDJWRBBN-UHFFFAOYSA-N
XLogP2.22
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol
CID 83945161
3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol
CID 83945163
2-(6,7-dichloro-1-methylindol-3-yl)acetic acid
CID 83944788
2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
CID 83947656
2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine
CID 83948657
7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82249284
2-(4-chloro-2,3-dimethylphenyl)acetic acid
CID 66771246
3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 83948634
6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde
CID 83947534
2-(3-chloro-2,6-dimethylphenyl)acetic acid
CID 18401133
2-[4-chloro-1-(2-hydroxyethyl)pyrrol-2-yl]acetic acid
CID 54317016
3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol
CID 83944807

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid (CID 83945122) is 2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid is Cc1c(Cl)ccc2c(CC(=O)O)cn(CCO)c12.
What is the InChIKey of 2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid?
The InChIKey is JQHFCXWDJWRBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-8-11(14)3-2-10-9(6-12(17)18)7-15(4-5-16)13(8)10/h2-3,7,16H,4-6H2,1H3,(H,17,18).
What are the key properties of 2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid?
2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid has a molecular weight of 267.71 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid is sourced from PubChem (CID 83945122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).