1-(5-chloro-1-ethylindol-2-yl)propan-2-ol

C13H16ClNO — CID 117121551

IUPAC1-(5-chloro-1-ethylindol-2-yl)propan-2-ol
SMILESCCn1c(CC(C)O)cc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClNO/c1-3-15-12(6-9(2)16)8-10-7-11(14)4-5-13(10)15/h4-5,7-9,16H,3,6H2,1-2H3
InChIKeyLGNDMQNOPBLDNV-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.24
Rot. Bonds3

About 1-(5-chloro-1-ethylindol-2-yl)propan-2-ol

1-(5-chloro-1-ethylindol-2-yl)propan-2-ol (PubChem CID 117121551) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(5-chloro-1-ethylindol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-1-ethylindol-2-yl)propan-2-ol
PubChem CID117121551
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-(5-chloro-1-ethylindol-2-yl)propan-2-ol
SMILESCCn1c(CC(C)O)cc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClNO/c1-3-15-12(6-9(2)16)8-10-7-11(14)4-5-13(10)15/h4-5,7-9,16H,3,6H2,1-2H3
InChIKeyLGNDMQNOPBLDNV-UHFFFAOYSA-N
XLogP3.24
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-1-ethylindol-2-yl)ethanol
CID 117121550
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117121432
2-(5-chloro-1-ethylindol-2-yl)propan-1-ol
CID 117121568
2-(5-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117121588
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
1-(5-chloro-1-ethylindol-2-yl)ethanone
CID 117121607
1-(5-chloro-1-methylindol-2-yl)propan-2-amine
CID 82662230
6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole
CID 117180808
methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate
CID 115072130
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
CID 117121456
2-(5-chloro-1-propan-2-ylindol-2-yl)acetic acid
CID 117121626
6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole
CID 117180802

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-ethylindol-2-yl)propan-2-ol?
The IUPAC name of 1-(5-chloro-1-ethylindol-2-yl)propan-2-ol (CID 117121551) is 1-(5-chloro-1-ethylindol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-1-ethylindol-2-yl)propan-2-ol?
The canonical SMILES for 1-(5-chloro-1-ethylindol-2-yl)propan-2-ol is CCn1c(CC(C)O)cc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-1-ethylindol-2-yl)propan-2-ol?
The InChIKey is LGNDMQNOPBLDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-3-15-12(6-9(2)16)8-10-7-11(14)4-5-13(10)15/h4-5,7-9,16H,3,6H2,1-2H3.
What are the key properties of 1-(5-chloro-1-ethylindol-2-yl)propan-2-ol?
1-(5-chloro-1-ethylindol-2-yl)propan-2-ol has a molecular weight of 237.73 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-ethylindol-2-yl)propan-2-ol is sourced from PubChem (CID 117121551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).