2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol

C17H17ClN2O — CID 79431437

IUPAC2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
SMILESCn1nc(CC(CO)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H17ClN2O/c1-20-17-8-3-2-7-15(17)16(19-20)10-13(11-21)12-5-4-6-14(18)9-12/h2-9,13,21H,10-11H2,1H3
InChIKeyJFSBDWFTAUXMCR-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.55
Rot. Bonds4

About 2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol

2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol (PubChem CID 79431437) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
PubChem CID79431437
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
SMILESCn1nc(CC(CO)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H17ClN2O/c1-20-17-8-3-2-7-15(17)16(19-20)10-13(11-21)12-5-4-6-14(18)9-12/h2-9,13,21H,10-11H2,1H3
InChIKeyJFSBDWFTAUXMCR-UHFFFAOYSA-N
XLogP3.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol?
The IUPAC name of 2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol (CID 79431437) is 2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol is Cn1nc(CC(CO)c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol?
The InChIKey is JFSBDWFTAUXMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-20-17-8-3-2-7-15(17)16(19-20)10-13(11-21)12-5-4-6-14(18)9-12/h2-9,13,21H,10-11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol?
2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol has a molecular weight of 300.79 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol is sourced from PubChem (CID 79431437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).