3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol

C17H13NO3 — CID 118160470

IUPAC3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol
SMILESCOc1ccc2onc(C3=CC(O)c4ccccc43)c2c1
InChIInChI=1S/C17H13NO3/c1-20-10-6-7-16-14(8-10)17(18-21-16)13-9-15(19)12-5-3-2-4-11(12)13/h2-9,15,19H,1H3
InChIKeyXXMRLXHCXYNEKS-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.32
Rot. Bonds2

About 3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol

3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol (PubChem CID 118160470) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol.

Molecular Properties

Compound Name3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol
PubChem CID118160470
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol
SMILESCOc1ccc2onc(C3=CC(O)c4ccccc43)c2c1
InChIInChI=1S/C17H13NO3/c1-20-10-6-7-16-14(8-10)17(18-21-16)13-9-15(19)12-5-3-2-4-11(12)13/h2-9,15,19H,1H3
InChIKeyXXMRLXHCXYNEKS-UHFFFAOYSA-N
XLogP3.32
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methoxy-1,2-benzoxazol-3-yl)benzoic acid
CID 59828587
methyl 5-methoxy-1,2-benzoxazole-3-carboxylate
CID 84820117
3-(dibromomethyl)-5-methoxy-1,2-benzoxazole
CID 119090324
4-hydroxy-6-methoxy-3-(3-oxo-1H-2-benzofuran-1-yl)chromen-2-one
CID 54748924
3-methoxy-6-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-ol
CID 86019296
[bromo-(5-methoxy-1,2-benzoxazol-3-yl)methyl]-imino-oxo-phenyl-λ6-sulfane
CID 12631886
1-(1,2-benzoxazol-3-ylmethyl)-3-(2,4-dimethoxyphenyl)urea
CID 20901312
[5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol
CID 131866931
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
2-(4-amino-6-methoxyquinazolin-2-yl)phenol
CID 137271406
4-(6-methoxy-1,2-benzoxazol-3-yl)aniline
CID 82105934
4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136946080

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol?
The IUPAC name of 3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol (CID 118160470) is 3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol.
What is the SMILES notation for 3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol?
The canonical SMILES for 3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol is COc1ccc2onc(C3=CC(O)c4ccccc43)c2c1.
What is the InChIKey of 3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol?
The InChIKey is XXMRLXHCXYNEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-20-10-6-7-16-14(8-10)17(18-21-16)13-9-15(19)12-5-3-2-4-11(12)13/h2-9,15,19H,1H3.
What are the key properties of 3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol?
3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol has a molecular weight of 279.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1,2-benzoxazol-3-yl)-1H-inden-1-ol is sourced from PubChem (CID 118160470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).