3-(1H-2,3-benzoxazin-4-yl)phenol

C14H11NO2 — CID 11241610

IUPAC3-(1H-2,3-benzoxazin-4-yl)phenol
SMILESOc1cccc(C2=NOCc3ccccc32)c1
InChIInChI=1S/C14H11NO2/c16-12-6-3-5-10(8-12)14-13-7-2-1-4-11(13)9-17-15-14/h1-8,16H,9H2
InChIKeyORWYCUPAPJMRCR-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.67
Rot. Bonds1

About 3-(1H-2,3-benzoxazin-4-yl)phenol

3-(1H-2,3-benzoxazin-4-yl)phenol (PubChem CID 11241610) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(1H-2,3-benzoxazin-4-yl)phenol.

Molecular Properties

Compound Name3-(1H-2,3-benzoxazin-4-yl)phenol
PubChem CID11241610
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-(1H-2,3-benzoxazin-4-yl)phenol
SMILESOc1cccc(C2=NOCc3ccccc32)c1
InChIInChI=1S/C14H11NO2/c16-12-6-3-5-10(8-12)14-13-7-2-1-4-11(13)9-17-15-14/h1-8,16H,9H2
InChIKeyORWYCUPAPJMRCR-UHFFFAOYSA-N
XLogP2.67
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-2,3-benzoxazin-4-yl)phenol?
The IUPAC name of 3-(1H-2,3-benzoxazin-4-yl)phenol (CID 11241610) is 3-(1H-2,3-benzoxazin-4-yl)phenol.
What is the SMILES notation for 3-(1H-2,3-benzoxazin-4-yl)phenol?
The canonical SMILES for 3-(1H-2,3-benzoxazin-4-yl)phenol is Oc1cccc(C2=NOCc3ccccc32)c1.
What is the InChIKey of 3-(1H-2,3-benzoxazin-4-yl)phenol?
The InChIKey is ORWYCUPAPJMRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-12-6-3-5-10(8-12)14-13-7-2-1-4-11(13)9-17-15-14/h1-8,16H,9H2.
What are the key properties of 3-(1H-2,3-benzoxazin-4-yl)phenol?
3-(1H-2,3-benzoxazin-4-yl)phenol has a molecular weight of 225.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-2,3-benzoxazin-4-yl)phenol is sourced from PubChem (CID 11241610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).