2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol

C14H11NO4 — CID 135409725

IUPAC2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol
SMILESCOc1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C14H11NO4/c1-18-12-7-10(17)6-11-13(12)19-14(15-11)8-2-4-9(16)5-3-8/h2-7,16-17H,1H3
InChIKeyRJJQKEPGOIGNSZ-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.91
Rot. Bonds2

About 2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol

2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol (PubChem CID 135409725) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol
PubChem CID135409725
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol
SMILESCOc1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C14H11NO4/c1-18-12-7-10(17)6-11-13(12)19-14(15-11)8-2-4-9(16)5-3-8/h2-7,16-17H,1H3
InChIKeyRJJQKEPGOIGNSZ-UHFFFAOYSA-N
XLogP2.91
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol (CID 135409725) is 2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol is COc1cc(O)cc2nc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol?
The InChIKey is RJJQKEPGOIGNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-18-12-7-10(17)6-11-13(12)19-14(15-11)8-2-4-9(16)5-3-8/h2-7,16-17H,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol?
2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol has a molecular weight of 257.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135409725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).