[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol

C20H18N2O3 — CID 21106998

IUPAC[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol
SMILESCOc1ccc(Cn2nc(-c3ccc(CO)o3)c3ccccc32)cc1
InChIInChI=1S/C20H18N2O3/c1-24-15-8-6-14(7-9-15)12-22-18-5-3-2-4-17(18)20(21-22)19-11-10-16(13-23)25-19/h2-11,23H,12-13H2,1H3
InChIKeyAUSAEUSRJSKIJN-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.85
Rot. Bonds5

About [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol

[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol (PubChem CID 21106998) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol
PubChem CID21106998
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol
SMILESCOc1ccc(Cn2nc(-c3ccc(CO)o3)c3ccccc32)cc1
InChIInChI=1S/C20H18N2O3/c1-24-15-8-6-14(7-9-15)12-22-18-5-3-2-4-17(18)20(21-22)19-11-10-16(13-23)25-19/h2-11,23H,12-13H2,1H3
InChIKeyAUSAEUSRJSKIJN-UHFFFAOYSA-N
XLogP3.85
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol?
The IUPAC name of [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol (CID 21106998) is [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol is COc1ccc(Cn2nc(-c3ccc(CO)o3)c3ccccc32)cc1.
What is the InChIKey of [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol?
The InChIKey is AUSAEUSRJSKIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-15-8-6-14(7-9-15)12-22-18-5-3-2-4-17(18)20(21-22)19-11-10-16(13-23)25-19/h2-11,23H,12-13H2,1H3.
What are the key properties of [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol?
[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol has a molecular weight of 334.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol is sourced from PubChem (CID 21106998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).