(3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate

C19H20N2O4 — CID 174635299

IUPAC(3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)On1[nH]c(=O)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C19H20N2O4/c1-19(2,3)18(23)25-21-16-11-14(9-10-15(16)17(22)20-21)24-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyIFOUHPIPUBSMPU-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.91
Rot. Bonds4

About (3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate

(3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate (PubChem CID 174635299) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate
PubChem CID174635299
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)On1[nH]c(=O)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C19H20N2O4/c1-19(2,3)18(23)25-21-16-11-14(9-10-15(16)17(22)20-21)24-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyIFOUHPIPUBSMPU-UHFFFAOYSA-N
XLogP2.91
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139717983
methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate
CID 130229588
6-phenylmethoxy-3-[4-(trifluoromethoxy)phenyl]-2H-phthalazine-1,4-dione
CID 138585684
benzyl 2,2-dimethyl-3-(3-phenylmethoxyphenyl)propanoate
CID 138549970
3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718000
ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate
CID 90796257
piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 174722585
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
benzyl 3-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxyprop-1-enyl]-6-phenylmethoxyindole-1-carboxylate
CID 149239561
tert-butyl 3-(cyanomethyl)-6-phenylmethoxyindole-1-carboxylate
CID 66640267

Frequently Asked Questions

What is the IUPAC name of (3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate (CID 174635299) is (3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)On1[nH]c(=O)c2ccc(OCc3ccccc3)cc21.
What is the InChIKey of (3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate?
The InChIKey is IFOUHPIPUBSMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-19(2,3)18(23)25-21-16-11-14(9-10-15(16)17(22)20-21)24-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,20,22).
What are the key properties of (3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate?
(3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate has a molecular weight of 340.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174635299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).