2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol

C18H13NO3 — CID 135508382

IUPAC2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol
SMILESCc1cc(O)c2cccc(-c3nc4ccc(O)cc4o3)c2c1
InChIInChI=1S/C18H13NO3/c1-10-7-14-12(16(21)8-10)3-2-4-13(14)18-19-15-6-5-11(20)9-17(15)22-18/h2-9,20-21H,1H3
InChIKeyJBIMYQPMDQEGTO-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.37
Rot. Bonds1

About 2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol

2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol (PubChem CID 135508382) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol
PubChem CID135508382
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol
SMILESCc1cc(O)c2cccc(-c3nc4ccc(O)cc4o3)c2c1
InChIInChI=1S/C18H13NO3/c1-10-7-14-12(16(21)8-10)3-2-4-13(14)18-19-15-6-5-11(20)9-17(15)22-18/h2-9,20-21H,1H3
InChIKeyJBIMYQPMDQEGTO-UHFFFAOYSA-N
XLogP4.37
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
CID 135522275
3,6-bis(6-methyl-1,3-benzoxazol-2-yl)dibenzothiophen-2-ol
CID 135841603
azane;2-(1,3-benzoxazol-2-yl)phenol;phenol;toluene
CID 160629799
3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol
CID 135841605
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
2-(2-methylphenyl)-1,3-benzoxazol-7-ol
CID 84689691
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
4-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol
CID 135779414
2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole
CID 56772317
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol?
The IUPAC name of 2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol (CID 135508382) is 2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol is Cc1cc(O)c2cccc(-c3nc4ccc(O)cc4o3)c2c1.
What is the InChIKey of 2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol?
The InChIKey is JBIMYQPMDQEGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-10-7-14-12(16(21)8-10)3-2-4-13(14)18-19-15-6-5-11(20)9-17(15)22-18/h2-9,20-21H,1H3.
What are the key properties of 2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol?
2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol has a molecular weight of 291.31 g/mol, XLogP of 4.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-7-methylnaphthalen-1-yl)-1,3-benzoxazol-6-ol is sourced from PubChem (CID 135508382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).