2-methyl-5-phenylmethoxyindazole-3-carboxylic acid

C16H14N2O3 — CID 170357791

IUPAC2-methyl-5-phenylmethoxyindazole-3-carboxylic acid
SMILESCn1nc2ccc(OCc3ccccc3)cc2c1C(=O)O
InChIInChI=1S/C16H14N2O3/c1-18-15(16(19)20)13-9-12(7-8-14(13)17-18)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,20)
InChIKeyNXOHYUYJYNKQMW-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.85
Rot. Bonds4

About 2-methyl-5-phenylmethoxyindazole-3-carboxylic acid

2-methyl-5-phenylmethoxyindazole-3-carboxylic acid (PubChem CID 170357791) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-methyl-5-phenylmethoxyindazole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-phenylmethoxyindazole-3-carboxylic acid
PubChem CID170357791
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-methyl-5-phenylmethoxyindazole-3-carboxylic acid
SMILESCn1nc2ccc(OCc3ccccc3)cc2c1C(=O)O
InChIInChI=1S/C16H14N2O3/c1-18-15(16(19)20)13-9-12(7-8-14(13)17-18)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,20)
InChIKeyNXOHYUYJYNKQMW-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate
CID 170357733
N-[1-(2-hydroxyethyl)cyclobutyl]-2-methyl-5-phenylmethoxyindazole-3-carboxamide
CID 170602534
2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide
CID 170419321
5-hydroxy-2-methylindazole-3-carboxylic acid
CID 69302554
2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid
CID 170357752
(4-methyl-6-phenylmethoxyquinolin-2-yl)methanol
CID 82576433
2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide
CID 170417303
4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid
CID 42581400
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
ethane;4-phenylmethoxyphthalic acid
CID 90802135
3,4-dichloro-6-phenylmethoxyquinoline
CID 114759785
methyl 3-acetamido-1-methyl-5-phenylmethoxyindole-2-carboxylate
CID 4777725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenylmethoxyindazole-3-carboxylic acid?
The IUPAC name of 2-methyl-5-phenylmethoxyindazole-3-carboxylic acid (CID 170357791) is 2-methyl-5-phenylmethoxyindazole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-phenylmethoxyindazole-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-phenylmethoxyindazole-3-carboxylic acid is Cn1nc2ccc(OCc3ccccc3)cc2c1C(=O)O.
What is the InChIKey of 2-methyl-5-phenylmethoxyindazole-3-carboxylic acid?
The InChIKey is NXOHYUYJYNKQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-15(16(19)20)13-9-12(7-8-14(13)17-18)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 2-methyl-5-phenylmethoxyindazole-3-carboxylic acid?
2-methyl-5-phenylmethoxyindazole-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenylmethoxyindazole-3-carboxylic acid is sourced from PubChem (CID 170357791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).