2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol

C14H15NO3 — CID 115066632

IUPAC2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
SMILESOc1ccc(Cc2nc3c(o2)CC(O)CC3)cc1
InChIInChI=1S/C14H15NO3/c16-10-3-1-9(2-4-10)7-14-15-12-6-5-11(17)8-13(12)18-14/h1-4,11,16-17H,5-8H2
InChIKeyVCXGKRYICJPLCA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.82
Rot. Bonds2

About 2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol

2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol (PubChem CID 115066632) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
PubChem CID115066632
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
SMILESOc1ccc(Cc2nc3c(o2)CC(O)CC3)cc1
InChIInChI=1S/C14H15NO3/c16-10-3-1-9(2-4-10)7-14-15-12-6-5-11(17)8-13(12)18-14/h1-4,11,16-17H,5-8H2
InChIKeyVCXGKRYICJPLCA-UHFFFAOYSA-N
XLogP1.82
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol?
The IUPAC name of 2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol (CID 115066632) is 2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol is Oc1ccc(Cc2nc3c(o2)CC(O)CC3)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol?
The InChIKey is VCXGKRYICJPLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-10-3-1-9(2-4-10)7-14-15-12-6-5-11(17)8-13(12)18-14/h1-4,11,16-17H,5-8H2.
What are the key properties of 2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol?
2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol has a molecular weight of 245.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol is sourced from PubChem (CID 115066632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).