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

C16H15NO3 — CID 135524469

IUPAC3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol
SMILESCCCc1cc(-c2noc3cc(O)ccc23)ccc1O
InChIInChI=1S/C16H15NO3/c1-2-3-10-8-11(4-7-14(10)19)16-13-6-5-12(18)9-15(13)20-17-16/h4-9,18-19H,2-3H2,1H3
InChIKeyXIRTUTHGSVIEQW-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.86
Rot. Bonds3

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

3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol (PubChem CID 135524469) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol.

Molecular Properties

Compound Name3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol
PubChem CID135524469
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol
SMILESCCCc1cc(-c2noc3cc(O)ccc23)ccc1O
InChIInChI=1S/C16H15NO3/c1-2-3-10-8-11(4-7-14(10)19)16-13-6-5-12(18)9-15(13)20-17-16/h4-9,18-19H,2-3H2,1H3
InChIKeyXIRTUTHGSVIEQW-UHFFFAOYSA-N
XLogP3.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol
CID 5287551
3-(4-methylphenyl)-1,2-benzoxazol-5-ol
CID 105482853
4-(4-fluorophenyl)-2-propylphenol
CID 22458869
2-(4-hydroxy-3-propylphenyl)-6-propylphenol
CID 54407839
5-[4-[3-[4-(1,2-benzoxazol-3-yl)-2-propylphenoxy]propoxy]phenyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54537389
7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one
CID 70072190
4-[1-(4-hydroxyphenyl)propyl]-2-propylphenol
CID 68583785
2-tridecylbenzene-1,4-diol
CID 19033717
4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol
CID 68959503
CID 70568956
CID 70568956
CID 70369806
CID 70369806
sodium 2-dodecylbenzene-1,4-diol
CID 23460783

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol?
The IUPAC name of 3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol (CID 135524469) is 3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol.
What is the SMILES notation for 3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol?
The canonical SMILES for 3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol is CCCc1cc(-c2noc3cc(O)ccc23)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol?
The InChIKey is XIRTUTHGSVIEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-3-10-8-11(4-7-14(10)19)16-13-6-5-12(18)9-15(13)20-17-16/h4-9,18-19H,2-3H2,1H3.
What are the key properties of 3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol?
3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol has a molecular weight of 269.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-propylphenyl)-1,2-benzoxazol-6-ol is sourced from PubChem (CID 135524469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).