(1-butyl-2,7-dichloroindol-3-yl)methanol

C13H15Cl2NO — CID 82269358

IUPAC(1-butyl-2,7-dichloroindol-3-yl)methanol
SMILESCCCCn1c(Cl)c(CO)c2cccc(Cl)c21
InChIInChI=1S/C13H15Cl2NO/c1-2-3-7-16-12-9(5-4-6-11(12)14)10(8-17)13(16)15/h4-6,17H,2-3,7-8H2,1H3
InChIKeyWUFQJKPKHOCQCB-UHFFFAOYSA-N
MW272.17 g/mol
LogP4.24
Rot. Bonds4

About (1-butyl-2,7-dichloroindol-3-yl)methanol

(1-butyl-2,7-dichloroindol-3-yl)methanol (PubChem CID 82269358) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is (1-butyl-2,7-dichloroindol-3-yl)methanol.

Molecular Properties

Compound Name(1-butyl-2,7-dichloroindol-3-yl)methanol
PubChem CID82269358
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name(1-butyl-2,7-dichloroindol-3-yl)methanol
SMILESCCCCn1c(Cl)c(CO)c2cccc(Cl)c21
InChIInChI=1S/C13H15Cl2NO/c1-2-3-7-16-12-9(5-4-6-11(12)14)10(8-17)13(16)15/h4-6,17H,2-3,7-8H2,1H3
InChIKeyWUFQJKPKHOCQCB-UHFFFAOYSA-N
XLogP4.24
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-butyl-2-chloro-6-methylindol-3-yl)methanol
CID 82269650
[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol
CID 82268659
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356
(7-chloro-1-ethylindol-3-yl)methanol
CID 83522863
(2,5-dichloro-1-propylindol-3-yl)methanol
CID 82268729
1-(1-butyl-7-chloroindol-3-yl)ethanone
CID 117098510
1-(1-butyl-2-chloro-7-methoxyindol-3-yl)ethanone
CID 82269414
[2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
CID 82269307
(2,5,6-trichloro-1-ethylindol-3-yl)methanol
CID 82269557
1-chloronaphthalene;pentane
CID 19360859
(3-chloro-2-octoxyphenyl)methanol
CID 112612718
(3-chloro-2-ethylphenyl)methanol
CID 118269686

Frequently Asked Questions

What is the IUPAC name of (1-butyl-2,7-dichloroindol-3-yl)methanol?
The IUPAC name of (1-butyl-2,7-dichloroindol-3-yl)methanol (CID 82269358) is (1-butyl-2,7-dichloroindol-3-yl)methanol.
What is the SMILES notation for (1-butyl-2,7-dichloroindol-3-yl)methanol?
The canonical SMILES for (1-butyl-2,7-dichloroindol-3-yl)methanol is CCCCn1c(Cl)c(CO)c2cccc(Cl)c21.
What is the InChIKey of (1-butyl-2,7-dichloroindol-3-yl)methanol?
The InChIKey is WUFQJKPKHOCQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-2-3-7-16-12-9(5-4-6-11(12)14)10(8-17)13(16)15/h4-6,17H,2-3,7-8H2,1H3.
What are the key properties of (1-butyl-2,7-dichloroindol-3-yl)methanol?
(1-butyl-2,7-dichloroindol-3-yl)methanol has a molecular weight of 272.17 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-2,7-dichloroindol-3-yl)methanol is sourced from PubChem (CID 82269358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).