methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate

C18H18N2O3 — CID 140667084

IUPACmethyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate
SMILESCCc1n[nH]c2cc(OCc3ccccc3)c(C(=O)OC)cc12
InChIInChI=1S/C18H18N2O3/c1-3-15-13-9-14(18(21)22-2)17(10-16(13)20-19-15)23-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyBOTZMVKDDAVNAF-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.49
Rot. Bonds5

About methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate

methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate (PubChem CID 140667084) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate
PubChem CID140667084
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate
SMILESCCc1n[nH]c2cc(OCc3ccccc3)c(C(=O)OC)cc12
InChIInChI=1S/C18H18N2O3/c1-3-15-13-9-14(18(21)22-2)17(10-16(13)20-19-15)23-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyBOTZMVKDDAVNAF-UHFFFAOYSA-N
XLogP3.49
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
CID 147669047
3-(hydroxymethyl)-6,7-bis[(4-methoxyphenyl)methoxy]-1H-cinnolin-4-one
CID 141366567
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
methyl 2-hexoxy-3-(2-phenylmethoxyphenyl)benzoate
CID 67882728
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate?
The IUPAC name of methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate (CID 140667084) is methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate.
What is the SMILES notation for methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate?
The canonical SMILES for methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate is CCc1n[nH]c2cc(OCc3ccccc3)c(C(=O)OC)cc12.
What is the InChIKey of methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate?
The InChIKey is BOTZMVKDDAVNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-15-13-9-14(18(21)22-2)17(10-16(13)20-19-15)23-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate?
methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate is sourced from PubChem (CID 140667084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).