2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol

C21H13NO2 — CID 137169500

IUPAC2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol
SMILESOc1ccccc1-c1nc2cc3cc4ccccc4cc3cc2o1
InChIInChI=1S/C21H13NO2/c23-19-8-4-3-7-17(19)21-22-18-11-15-9-13-5-1-2-6-14(13)10-16(15)12-20(18)24-21/h1-12,23H
InChIKeyLSHHXAHYPLWQOK-UHFFFAOYSA-N
MW311.34 g/mol
LogP5.51
Rot. Bonds1

About 2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol

2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol (PubChem CID 137169500) has the molecular formula C21H13NO2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol.

Molecular Properties

Compound Name2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol
PubChem CID137169500
Molecular FormulaC21H13NO2
Molecular Weight311.34 g/mol
Exact Mass311.09
IUPAC Name2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol
SMILESOc1ccccc1-c1nc2cc3cc4ccccc4cc3cc2o1
InChIInChI=1S/C21H13NO2/c23-19-8-4-3-7-17(19)21-22-18-11-15-9-13-5-1-2-6-14(13)10-16(15)12-20(18)24-21/h1-12,23H
InChIKeyLSHHXAHYPLWQOK-UHFFFAOYSA-N
XLogP5.51
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.34
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile
CID 137169487
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314088
2-benzo[f][1,3]benzoxazol-2-yl-4-(2-dimethoxyphosphorylethyl)phenol
CID 137091436
4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
CID 135522275
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
CID 135749803
2,6-bis(1,3-benzoxazol-2-yl)-4-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797678
2,5-bis(5-bromo-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 142681394
2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
CID 135685723

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol?
The IUPAC name of 2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol (CID 137169500) is 2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol.
What is the SMILES notation for 2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol?
The canonical SMILES for 2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol is Oc1ccccc1-c1nc2cc3cc4ccccc4cc3cc2o1.
What is the InChIKey of 2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol?
The InChIKey is LSHHXAHYPLWQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO2/c23-19-8-4-3-7-17(19)21-22-18-11-15-9-13-5-1-2-6-14(13)10-16(15)12-20(18)24-21/h1-12,23H.
What are the key properties of 2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol?
2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol has a molecular weight of 311.34 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol is sourced from PubChem (CID 137169500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).