3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol

C12H13Cl2NO — CID 83944807

IUPAC3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol
SMILESCc1cn(CCCO)c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C12H13Cl2NO/c1-8-7-15(5-2-6-16)12-9(8)3-4-10(13)11(12)14/h3-4,7,16H,2,5-6H2,1H3
InChIKeyMHUZGXQNQJVSSR-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.64
Rot. Bonds3

About 3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol

3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol (PubChem CID 83944807) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol
PubChem CID83944807
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol
SMILESCc1cn(CCCO)c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C12H13Cl2NO/c1-8-7-15(5-2-6-16)12-9(8)3-4-10(13)11(12)14/h3-4,7,16H,2,5-6H2,1H3
InChIKeyMHUZGXQNQJVSSR-UHFFFAOYSA-N
XLogP3.64
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6,7-dichloro-3-methylindol-1-yl)ethanamine
CID 83948496
methyl 6,7-dichloro-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947544
1-(3-hydroxypropyl)-3,6-dimethylindole-7-carboxylic acid
CID 83946407
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
6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde
CID 83947534
1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol
CID 83944817
2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine
CID 83948501
1-(3-hydroxypropyl)-3-methyl-7-propan-2-ylindole-5-carboxylic acid
CID 83945803
2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid
CID 83945122
2-(6,7-dichloro-1-methylindol-3-yl)acetic acid
CID 83944788
(6,7-dichloro-1,3-dimethylindol-2-yl)methanamine
CID 83868326

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol?
The IUPAC name of 3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol (CID 83944807) is 3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol?
The canonical SMILES for 3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol is Cc1cn(CCCO)c2c(Cl)c(Cl)ccc12.
What is the InChIKey of 3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol?
The InChIKey is MHUZGXQNQJVSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-8-7-15(5-2-6-16)12-9(8)3-4-10(13)11(12)14/h3-4,7,16H,2,5-6H2,1H3.
What are the key properties of 3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol?
3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol has a molecular weight of 258.15 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol is sourced from PubChem (CID 83944807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).