2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol

C16H15NO3 — CID 135511852

IUPAC2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol
SMILESCCC1Oc2cc(O)ccc2N=C1c1ccc(O)cc1
InChIInChI=1S/C16H15NO3/c1-2-14-16(10-3-5-11(18)6-4-10)17-13-8-7-12(19)9-15(13)20-14/h3-9,14,18-19H,2H2,1H3
InChIKeyFPIUXIZJGYSEDC-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.39
Rot. Bonds2

About 2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol

2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol (PubChem CID 135511852) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol.

Molecular Properties

Compound Name2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol
PubChem CID135511852
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol
SMILESCCC1Oc2cc(O)ccc2N=C1c1ccc(O)cc1
InChIInChI=1S/C16H15NO3/c1-2-14-16(10-3-5-11(18)6-4-10)17-13-8-7-12(19)9-15(13)20-14/h3-9,14,18-19H,2H2,1H3
InChIKeyFPIUXIZJGYSEDC-UHFFFAOYSA-N
XLogP3.39
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol?
The IUPAC name of 2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol (CID 135511852) is 2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol.
What is the SMILES notation for 2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol?
The canonical SMILES for 2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol is CCC1Oc2cc(O)ccc2N=C1c1ccc(O)cc1.
What is the InChIKey of 2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol?
The InChIKey is FPIUXIZJGYSEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-14-16(10-3-5-11(18)6-4-10)17-13-8-7-12(19)9-15(13)20-14/h3-9,14,18-19H,2H2,1H3.
What are the key properties of 2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol?
2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol has a molecular weight of 269.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-hydroxyphenyl)-2H-1,4-benzoxazin-7-ol is sourced from PubChem (CID 135511852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).