4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol

C16H15NO3 — CID 137099163

IUPAC4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol
SMILESCC1ON=C(c2ccc(O)cc2)C1c1ccc(O)cc1
InChIInChI=1S/C16H15NO3/c1-10-15(11-2-6-13(18)7-3-11)16(17-20-10)12-4-8-14(19)9-5-12/h2-10,15,18-19H,1H3
InChIKeyXOSMOOGDBGCJJO-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.00
Rot. Bonds2

About 4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol

4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol (PubChem CID 137099163) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol
PubChem CID137099163
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol
SMILESCC1ON=C(c2ccc(O)cc2)C1c1ccc(O)cc1
InChIInChI=1S/C16H15NO3/c1-10-15(11-2-6-13(18)7-3-11)16(17-20-10)12-4-8-14(19)9-5-12/h2-10,15,18-19H,1H3
InChIKeyXOSMOOGDBGCJJO-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol (CID 137099163) is 4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol is CC1ON=C(c2ccc(O)cc2)C1c1ccc(O)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol?
The InChIKey is XOSMOOGDBGCJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-15(11-2-6-13(18)7-3-11)16(17-20-10)12-4-8-14(19)9-5-12/h2-10,15,18-19H,1H3.
What are the key properties of 4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol?
4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol has a molecular weight of 269.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol is sourced from PubChem (CID 137099163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).