6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol

C18H13NO3 — CID 142739914

IUPAC6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol
SMILESOCc1ccc2oc(-c3ccc4cc(O)ccc4c3)nc2c1
InChIInChI=1S/C18H13NO3/c20-10-11-1-6-17-16(7-11)19-18(22-17)14-3-2-13-9-15(21)5-4-12(13)8-14/h1-9,20-21H,10H2
InChIKeyRSJXUDABXOINMX-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.85
Rot. Bonds2

About 6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol

6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol (PubChem CID 142739914) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol
PubChem CID142739914
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol
SMILESOCc1ccc2oc(-c3ccc4cc(O)ccc4c3)nc2c1
InChIInChI=1S/C18H13NO3/c20-10-11-1-6-17-16(7-11)19-18(22-17)14-3-2-13-9-15(21)5-4-12(13)8-14/h1-9,20-21H,10H2
InChIKeyRSJXUDABXOINMX-UHFFFAOYSA-N
XLogP3.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol?
The IUPAC name of 6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol (CID 142739914) is 6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol.
What is the SMILES notation for 6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol?
The canonical SMILES for 6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol is OCc1ccc2oc(-c3ccc4cc(O)ccc4c3)nc2c1.
What is the InChIKey of 6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol?
The InChIKey is RSJXUDABXOINMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-10-11-1-6-17-16(7-11)19-18(22-17)14-3-2-13-9-15(21)5-4-12(13)8-14/h1-9,20-21H,10H2.
What are the key properties of 6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol?
6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol has a molecular weight of 291.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol is sourced from PubChem (CID 142739914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).