1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol

C14H19ClN2O2 — CID 174255619

IUPAC1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol
SMILESCC(O)COCc1ccc2c(c1)c(Cl)nn2C(C)C
InChIInChI=1S/C14H19ClN2O2/c1-9(2)17-13-5-4-11(8-19-7-10(3)18)6-12(13)14(15)16-17/h4-6,9-10,18H,7-8H2,1-3H3
InChIKeyROVQPPLPCXKJQA-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.17
Rot. Bonds5

About 1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol

1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol (PubChem CID 174255619) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol
PubChem CID174255619
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol
SMILESCC(O)COCc1ccc2c(c1)c(Cl)nn2C(C)C
InChIInChI=1S/C14H19ClN2O2/c1-9(2)17-13-5-4-11(8-19-7-10(3)18)6-12(13)14(15)16-17/h4-6,9-10,18H,7-8H2,1-3H3
InChIKeyROVQPPLPCXKJQA-UHFFFAOYSA-N
XLogP3.17
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol?
The IUPAC name of 1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol (CID 174255619) is 1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol.
What is the SMILES notation for 1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol?
The canonical SMILES for 1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol is CC(O)COCc1ccc2c(c1)c(Cl)nn2C(C)C.
What is the InChIKey of 1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol?
The InChIKey is ROVQPPLPCXKJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9(2)17-13-5-4-11(8-19-7-10(3)18)6-12(13)14(15)16-17/h4-6,9-10,18H,7-8H2,1-3H3.
What are the key properties of 1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol?
1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol has a molecular weight of 282.77 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol is sourced from PubChem (CID 174255619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).