3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol

C14H13NO2 — CID 122589715

IUPAC3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol
SMILESCC(C)c1noc2c1cc(O)c1ccccc12
InChIInChI=1S/C14H13NO2/c1-8(2)13-11-7-12(16)9-5-3-4-6-10(9)14(11)17-15-13/h3-8,16H,1-2H3
InChIKeyGOKJAAPBCPSHDM-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.81
Rot. Bonds1

About 3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol

3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol (PubChem CID 122589715) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol.

Molecular Properties

Compound Name3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol
PubChem CID122589715
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol
SMILESCC(C)c1noc2c1cc(O)c1ccccc12
InChIInChI=1S/C14H13NO2/c1-8(2)13-11-7-12(16)9-5-3-4-6-10(9)14(11)17-15-13/h3-8,16H,1-2H3
InChIKeyGOKJAAPBCPSHDM-UHFFFAOYSA-N
XLogP3.81
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol?
The IUPAC name of 3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol (CID 122589715) is 3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol.
What is the SMILES notation for 3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol?
The canonical SMILES for 3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol is CC(C)c1noc2c1cc(O)c1ccccc12.
What is the InChIKey of 3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol?
The InChIKey is GOKJAAPBCPSHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-8(2)13-11-7-12(16)9-5-3-4-6-10(9)14(11)17-15-13/h3-8,16H,1-2H3.
What are the key properties of 3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol?
3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol has a molecular weight of 227.26 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol is sourced from PubChem (CID 122589715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).