(3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone

C15H10Cl2N2O2 — CID 166063513

IUPAC(3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone
SMILESCc1ccc2c(cnn2C(=O)c2cc(Cl)c(O)c(Cl)c2)c1
InChIInChI=1S/C15H10Cl2N2O2/c1-8-2-3-13-10(4-8)7-18-19(13)15(21)9-5-11(16)14(20)12(17)6-9/h2-7,20H,1H3
InChIKeyQKJCREHZGITZMY-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.05
Rot. Bonds1

About (3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone

(3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone (PubChem CID 166063513) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is (3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone
PubChem CID166063513
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name(3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone
SMILESCc1ccc2c(cnn2C(=O)c2cc(Cl)c(O)c(Cl)c2)c1
InChIInChI=1S/C15H10Cl2N2O2/c1-8-2-3-13-10(4-8)7-18-19(13)15(21)9-5-11(16)14(20)12(17)6-9/h2-7,20H,1H3
InChIKeyQKJCREHZGITZMY-UHFFFAOYSA-N
XLogP4.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone?
The IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone (CID 166063513) is (3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone.
What is the SMILES notation for (3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone?
The canonical SMILES for (3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone is Cc1ccc2c(cnn2C(=O)c2cc(Cl)c(O)c(Cl)c2)c1.
What is the InChIKey of (3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone?
The InChIKey is QKJCREHZGITZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-8-2-3-13-10(4-8)7-18-19(13)15(21)9-5-11(16)14(20)12(17)6-9/h2-7,20H,1H3.
What are the key properties of (3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone?
(3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone has a molecular weight of 321.16 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone is sourced from PubChem (CID 166063513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).