4-chloro-2-propan-2-yl-1H-indol-5-ol

C11H12ClNO — CID 84677338

IUPAC4-chloro-2-propan-2-yl-1H-indol-5-ol
SMILESCC(C)c1cc2c(Cl)c(O)ccc2[nH]1
InChIInChI=1S/C11H12ClNO/c1-6(2)9-5-7-8(13-9)3-4-10(14)11(7)12/h3-6,13-14H,1-2H3
InChIKeyXGLSWTIFBBVOJK-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.65
Rot. Bonds1

About 4-chloro-2-propan-2-yl-1H-indol-5-ol

4-chloro-2-propan-2-yl-1H-indol-5-ol (PubChem CID 84677338) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-1H-indol-5-ol.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-1H-indol-5-ol
PubChem CID84677338
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name4-chloro-2-propan-2-yl-1H-indol-5-ol
SMILESCC(C)c1cc2c(Cl)c(O)ccc2[nH]1
InChIInChI=1S/C11H12ClNO/c1-6(2)9-5-7-8(13-9)3-4-10(14)11(7)12/h3-6,13-14H,1-2H3
InChIKeyXGLSWTIFBBVOJK-UHFFFAOYSA-N
XLogP3.65
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-1H-indol-5-ol?
The IUPAC name of 4-chloro-2-propan-2-yl-1H-indol-5-ol (CID 84677338) is 4-chloro-2-propan-2-yl-1H-indol-5-ol.
What is the SMILES notation for 4-chloro-2-propan-2-yl-1H-indol-5-ol?
The canonical SMILES for 4-chloro-2-propan-2-yl-1H-indol-5-ol is CC(C)c1cc2c(Cl)c(O)ccc2[nH]1.
What is the InChIKey of 4-chloro-2-propan-2-yl-1H-indol-5-ol?
The InChIKey is XGLSWTIFBBVOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-6(2)9-5-7-8(13-9)3-4-10(14)11(7)12/h3-6,13-14H,1-2H3.
What are the key properties of 4-chloro-2-propan-2-yl-1H-indol-5-ol?
4-chloro-2-propan-2-yl-1H-indol-5-ol has a molecular weight of 209.68 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-1H-indol-5-ol is sourced from PubChem (CID 84677338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).