2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol

C19H13NO3 — CID 135749803

IUPAC2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
SMILESOc1ccccc1-c1nc2c(-c3ccccc3O)cccc2o1
InChIInChI=1S/C19H13NO3/c21-15-9-3-1-6-12(15)13-8-5-11-17-18(13)20-19(23-17)14-7-2-4-10-16(14)22/h1-11,21-22H
InChIKeyPQWWZCLOZAQYME-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.57
Rot. Bonds2

About 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol

2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol (PubChem CID 135749803) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
PubChem CID135749803
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
SMILESOc1ccccc1-c1nc2c(-c3ccccc3O)cccc2o1
InChIInChI=1S/C19H13NO3/c21-15-9-3-1-6-12(15)13-8-5-11-17-18(13)20-19(23-17)14-7-2-4-10-16(14)22/h1-11,21-22H
InChIKeyPQWWZCLOZAQYME-UHFFFAOYSA-N
XLogP4.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Benzoxazolyl)phenol
CID 13269
2-(5-Hydroxy-naphthalen-1-YL)-1,3-benzooxazol-6-OL
CID 4369550
4-(1,3-Benzoxazol-2-yl)-2,6-dimethylphenol
CID 135566325
4-(6-Methyl-benzooxazol-2-yl)-phenol
CID 834576
2-(6-Hydroxynaphthalen-1-yl)benzo(d)oxazol-6-ol
CID 10062042
2-(2-Adamantylidenemethyl)-1,3-benzoxazol-6-ol
CID 22733402
2-(4-Hydroxy-phenyl)-7-phenyl-benzooxazol-5-ol
CID 135409756
3-(6-Hydroxy-benzooxazol-2-yl)-benzene-1,2-diol
CID 135430305
7-Ethyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135442585
2-(4-Hydroxy-phenyl)-7-isopropyl-benzooxazol-5-ol
CID 135442595
2-(6-Hydroxynaphthalen-2-yl)benzo[d]oxazol-6-ol
CID 135449109
2-(4-Hydroxyphenyl)benzo[d]oxazol-6-ol
CID 135471161

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol?
The IUPAC name of 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol (CID 135749803) is 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol is Oc1ccccc1-c1nc2c(-c3ccccc3O)cccc2o1.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol?
The InChIKey is PQWWZCLOZAQYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c21-15-9-3-1-6-12(15)13-8-5-11-17-18(13)20-19(23-17)14-7-2-4-10-16(14)22/h1-11,21-22H.
What are the key properties of 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol?
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol has a molecular weight of 303.32 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol is sourced from PubChem (CID 135749803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).