2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol

C14H18ClNO — CID 117196918

IUPAC2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol
SMILESCC(C)n1c(C(C)(C)O)cc2cccc(Cl)c21
InChIInChI=1S/C14H18ClNO/c1-9(2)16-12(14(3,4)17)8-10-6-5-7-11(15)13(10)16/h5-9,17H,1-4H3
InChIKeyDQJVSVYJAWTZES-UHFFFAOYSA-N
MW251.76 g/mol
LogP4.10
Rot. Bonds2

About 2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol

2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol (PubChem CID 117196918) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol
PubChem CID117196918
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol
SMILESCC(C)n1c(C(C)(C)O)cc2cccc(Cl)c21
InChIInChI=1S/C14H18ClNO/c1-9(2)16-12(14(3,4)17)8-10-6-5-7-11(15)13(10)16/h5-9,17H,1-4H3
InChIKeyDQJVSVYJAWTZES-UHFFFAOYSA-N
XLogP4.10
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole
CID 117184313
2-(7-chloro-1-ethylindol-2-yl)-2-methylpropanoic acid
CID 117196983
N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
CID 117184020
2-(2-hydroxypropan-2-yl)-1-propan-2-ylquinolin-4-one
CID 176548680
2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine
CID 117120452
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62819494
2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
CID 84632651
7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
CID 110847862
2-(7-chloro-1-methylindol-2-yl)propan-1-amine
CID 83868392
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol
CID 136789678
1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol
CID 117196585
3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 60788267

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol?
The IUPAC name of 2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol (CID 117196918) is 2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol?
The canonical SMILES for 2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol is CC(C)n1c(C(C)(C)O)cc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol?
The InChIKey is DQJVSVYJAWTZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-9(2)16-12(14(3,4)17)8-10-6-5-7-11(15)13(10)16/h5-9,17H,1-4H3.
What are the key properties of 2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol?
2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol has a molecular weight of 251.76 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol is sourced from PubChem (CID 117196918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).