3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol

C18H19NO3 — CID 135458008

IUPAC3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol
SMILESCCCc1cc(-c2noc3cc(O)ccc23)c(CC)cc1O
InChIInChI=1S/C18H19NO3/c1-3-5-12-8-15(11(4-2)9-16(12)21)18-14-7-6-13(20)10-17(14)22-19-18/h6-10,20-21H,3-5H2,1-2H3
InChIKeyXSWVYGHDSDATRA-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.42
Rot. Bonds4

About 3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol

3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol (PubChem CID 135458008) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol.

Molecular Properties

Compound Name3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol
PubChem CID135458008
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol
SMILESCCCc1cc(-c2noc3cc(O)ccc23)c(CC)cc1O
InChIInChI=1S/C18H19NO3/c1-3-5-12-8-15(11(4-2)9-16(12)21)18-14-7-6-13(20)10-17(14)22-19-18/h6-10,20-21H,3-5H2,1-2H3
InChIKeyXSWVYGHDSDATRA-UHFFFAOYSA-N
XLogP4.42
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-Hydroxy-naphthalen-2-YL)-benzo[D]isooxazol-6-OL
CID 5287551
4-(6-Hydroxy-benzo[D]isoxazol-3-YL)benzene-1,3-diol
CID 5287464
4-Bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
CID 135433906
2-[(1S)-5-{3-[(3-methyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 9910188
2-[(1S)-5-{3-[(3,7-dimethyl-1,2-benzoxazol-6-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776381
3-(2-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135474202
3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-5-ol
CID 135474625
4-Benzo[d]isoxazol-3-yl-benzene-1,3-diol
CID 135496123
3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135526958
(3-{4-[(3-Phenyl-7-propyl-1,2-benzisoxazol-6-yl)oxy]butoxy}phenyl)acetic acid
CID 11753952
3-(2-(1-Benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-6-ol
CID 135494161
5-Methyl-2-(3-phenyl-5-isoxazolyl)phenol
CID 873963

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol?
The IUPAC name of 3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol (CID 135458008) is 3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol.
What is the SMILES notation for 3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol?
The canonical SMILES for 3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol is CCCc1cc(-c2noc3cc(O)ccc23)c(CC)cc1O.
What is the InChIKey of 3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol?
The InChIKey is XSWVYGHDSDATRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-5-12-8-15(11(4-2)9-16(12)21)18-14-7-6-13(20)10-17(14)22-19-18/h6-10,20-21H,3-5H2,1-2H3.
What are the key properties of 3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol?
3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol has a molecular weight of 297.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-4-hydroxy-5-propylphenyl)-1,2-benzoxazol-6-ol is sourced from PubChem (CID 135458008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).