4-chloro-2-cyclopropyl-1H-indol-5-ol

C11H10ClNO — CID 84675706

IUPAC4-chloro-2-cyclopropyl-1H-indol-5-ol
SMILESOc1ccc2[nH]c(C3CC3)cc2c1Cl
InChIInChI=1S/C11H10ClNO/c12-11-7-5-9(6-1-2-6)13-8(7)3-4-10(11)14/h3-6,13-14H,1-2H2
InChIKeyBTXONSYWNKNTFY-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.40
Rot. Bonds1

About 4-chloro-2-cyclopropyl-1H-indol-5-ol

4-chloro-2-cyclopropyl-1H-indol-5-ol (PubChem CID 84675706) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-1H-indol-5-ol.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-1H-indol-5-ol
PubChem CID84675706
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name4-chloro-2-cyclopropyl-1H-indol-5-ol
SMILESOc1ccc2[nH]c(C3CC3)cc2c1Cl
InChIInChI=1S/C11H10ClNO/c12-11-7-5-9(6-1-2-6)13-8(7)3-4-10(11)14/h3-6,13-14H,1-2H2
InChIKeyBTXONSYWNKNTFY-UHFFFAOYSA-N
XLogP3.40
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-1H-indol-5-ol?
The IUPAC name of 4-chloro-2-cyclopropyl-1H-indol-5-ol (CID 84675706) is 4-chloro-2-cyclopropyl-1H-indol-5-ol.
What is the SMILES notation for 4-chloro-2-cyclopropyl-1H-indol-5-ol?
The canonical SMILES for 4-chloro-2-cyclopropyl-1H-indol-5-ol is Oc1ccc2[nH]c(C3CC3)cc2c1Cl.
What is the InChIKey of 4-chloro-2-cyclopropyl-1H-indol-5-ol?
The InChIKey is BTXONSYWNKNTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-11-7-5-9(6-1-2-6)13-8(7)3-4-10(11)14/h3-6,13-14H,1-2H2.
What are the key properties of 4-chloro-2-cyclopropyl-1H-indol-5-ol?
4-chloro-2-cyclopropyl-1H-indol-5-ol has a molecular weight of 207.66 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-1H-indol-5-ol is sourced from PubChem (CID 84675706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).