3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol

C17H13NO3 — CID 135855839

IUPAC3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol
SMILESOc1ccc2c(c1)CCc1c(-c3ccccc3O)noc1-2
InChIInChI=1S/C17H13NO3/c19-11-6-8-12-10(9-11)5-7-14-16(18-21-17(12)14)13-3-1-2-4-15(13)20/h1-4,6,8-9,19-20H,5,7H2
InChIKeyPRYITBYNIVJDKN-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.52
Rot. Bonds1

About 3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol

3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol (PubChem CID 135855839) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol
PubChem CID135855839
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol
SMILESOc1ccc2c(c1)CCc1c(-c3ccccc3O)noc1-2
InChIInChI=1S/C17H13NO3/c19-11-6-8-12-10(9-11)5-7-14-16(18-21-17(12)14)13-3-1-2-4-15(13)20/h1-4,6,8-9,19-20H,5,7H2
InChIKeyPRYITBYNIVJDKN-UHFFFAOYSA-N
XLogP3.52
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol?
The IUPAC name of 3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol (CID 135855839) is 3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol.
What is the SMILES notation for 3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol?
The canonical SMILES for 3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol is Oc1ccc2c(c1)CCc1c(-c3ccccc3O)noc1-2.
What is the InChIKey of 3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol?
The InChIKey is PRYITBYNIVJDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-11-6-8-12-10(9-11)5-7-14-16(18-21-17(12)14)13-3-1-2-4-15(13)20/h1-4,6,8-9,19-20H,5,7H2.
What are the key properties of 3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol?
3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol has a molecular weight of 279.30 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol is sourced from PubChem (CID 135855839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).