[3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol

C14H18N2O3 — CID 66745041

IUPAC[3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol
SMILESOCc1ccc2n[nH]c(COC3CCCCO3)c2c1
InChIInChI=1S/C14H18N2O3/c17-8-10-4-5-12-11(7-10)13(16-15-12)9-19-14-3-1-2-6-18-14/h4-5,7,14,17H,1-3,6,8-9H2,(H,15,16)
InChIKeyKFOSWZDGSVAPLT-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.10
Rot. Bonds4

About [3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol

[3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol (PubChem CID 66745041) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol
PubChem CID66745041
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol
SMILESOCc1ccc2n[nH]c(COC3CCCCO3)c2c1
InChIInChI=1S/C14H18N2O3/c17-8-10-4-5-12-11(7-10)13(16-15-12)9-19-14-3-1-2-6-18-14/h4-5,7,14,17H,1-3,6,8-9H2,(H,15,16)
InChIKeyKFOSWZDGSVAPLT-UHFFFAOYSA-N
XLogP2.10
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine
CID 90166122
4-bromo-5-(oxan-2-yloxymethyl)-1H-pyrazole
CID 139312696
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-bromo-5-(oxan-2-yloxymethyl)pyridine
CID 18469682
2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine
CID 68737386
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
1-N,1-N,4-N,4-N-tetrakis[4-(oxan-2-yloxymethyl)phenyl]anthracene-1,4-diamine
CID 90246764
[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
CID 59552355

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol?
The IUPAC name of [3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol (CID 66745041) is [3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol.
What is the SMILES notation for [3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol?
The canonical SMILES for [3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol is OCc1ccc2n[nH]c(COC3CCCCO3)c2c1.
What is the InChIKey of [3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol?
The InChIKey is KFOSWZDGSVAPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-8-10-4-5-12-11(7-10)13(16-15-12)9-19-14-3-1-2-6-18-14/h4-5,7,14,17H,1-3,6,8-9H2,(H,15,16).
What are the key properties of [3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol?
[3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol has a molecular weight of 262.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol is sourced from PubChem (CID 66745041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).