[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol

C22H20N2O2 — CID 166635517

IUPAC[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol
SMILESCCOc1cccc(-c2ccc3c(-c4cccc(CO)c4)n[nH]c3c2)c1
InChIInChI=1S/C22H20N2O2/c1-2-26-19-8-4-6-16(12-19)17-9-10-20-21(13-17)23-24-22(20)18-7-3-5-15(11-18)14-25/h3-13,25H,2,14H2,1H3,(H,23,24)
InChIKeySOEWZIDGOWEXBZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.79
Rot. Bonds5

About [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol

[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol (PubChem CID 166635517) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol
PubChem CID166635517
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol
SMILESCCOc1cccc(-c2ccc3c(-c4cccc(CO)c4)n[nH]c3c2)c1
InChIInChI=1S/C22H20N2O2/c1-2-26-19-8-4-6-16(12-19)17-9-10-20-21(13-17)23-24-22(20)18-7-3-5-15(11-18)14-25/h3-13,25H,2,14H2,1H3,(H,23,24)
InChIKeySOEWZIDGOWEXBZ-UHFFFAOYSA-N
XLogP4.79
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol?
The IUPAC name of [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol (CID 166635517) is [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol?
The canonical SMILES for [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol is CCOc1cccc(-c2ccc3c(-c4cccc(CO)c4)n[nH]c3c2)c1.
What is the InChIKey of [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol?
The InChIKey is SOEWZIDGOWEXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-26-19-8-4-6-16(12-19)17-9-10-20-21(13-17)23-24-22(20)18-7-3-5-15(11-18)14-25/h3-13,25H,2,14H2,1H3,(H,23,24).
What are the key properties of [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol?
[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol has a molecular weight of 344.41 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanol is sourced from PubChem (CID 166635517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).