2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol

C15H16Cl2N2O — CID 68715944

IUPAC2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol
SMILESCn1nc2c(c1Cc1cc(O)c(Cl)cc1Cl)CCCC2
InChIInChI=1S/C15H16Cl2N2O/c1-19-14(10-4-2-3-5-13(10)18-19)6-9-7-15(20)12(17)8-11(9)16/h7-8,20H,2-6H2,1H3
InChIKeyXBUAEZQVXJPZJF-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.90
Rot. Bonds2

About 2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol

2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol (PubChem CID 68715944) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol
PubChem CID68715944
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol
SMILESCn1nc2c(c1Cc1cc(O)c(Cl)cc1Cl)CCCC2
InChIInChI=1S/C15H16Cl2N2O/c1-19-14(10-4-2-3-5-13(10)18-19)6-9-7-15(20)12(17)8-11(9)16/h7-8,20H,2-6H2,1H3
InChIKeyXBUAEZQVXJPZJF-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol?
The IUPAC name of 2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol (CID 68715944) is 2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol?
The canonical SMILES for 2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol is Cn1nc2c(c1Cc1cc(O)c(Cl)cc1Cl)CCCC2.
What is the InChIKey of 2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol?
The InChIKey is XBUAEZQVXJPZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-19-14(10-4-2-3-5-13(10)18-19)6-9-7-15(20)12(17)8-11(9)16/h7-8,20H,2-6H2,1H3.
What are the key properties of 2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol?
2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol has a molecular weight of 311.21 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol is sourced from PubChem (CID 68715944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).