6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol

C15H15NO3 — CID 118211209

IUPAC6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol
SMILESCOc1cccc2c1c(O)cc1nc(C(C)C)oc12
InChIInChI=1S/C15H15NO3/c1-8(2)15-16-10-7-11(17)13-9(14(10)19-15)5-4-6-12(13)18-3/h4-8,17H,1-3H3
InChIKeyOBGDXPYYMSMSTN-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.82
Rot. Bonds2

About 6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol

6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol (PubChem CID 118211209) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol.

Molecular Properties

Compound Name6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol
PubChem CID118211209
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol
SMILESCOc1cccc2c1c(O)cc1nc(C(C)C)oc12
InChIInChI=1S/C15H15NO3/c1-8(2)15-16-10-7-11(17)13-9(14(10)19-15)5-4-6-12(13)18-3/h4-8,17H,1-3H3
InChIKeyOBGDXPYYMSMSTN-UHFFFAOYSA-N
XLogP3.82
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463
1-hydroxy-3,4,8-trimethoxyxanthen-9-one
CID 162882586
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone
CID 82230213
3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one
CID 171935993
7-ethyl-2-propan-2-yl-1,3-benzoxazole
CID 82229866
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine
CID 170958710
2-amino-5-methoxynaphthalene-1,4-dione;2-tert-butyl-6-hydroxybenzo[g][1,3]benzoxazole-4,5-dione;2-tert-butyl-6-methoxybenzo[g][1,3]benzoxazole-4,5-dione;2-tert-butyl-6-methoxybenzo[g][1,3]benzoxazol-5-ol
CID 159687295
8-methoxy-3-methyl-4-phenylnaphthalen-1-ol
CID 101420154
5-chloro-7,8-dimethoxynaphthalen-1-ol
CID 86132607
6-bromo-5,8-dimethoxynaphthalen-1-ol
CID 15489720
2-propan-2-yl-1,3-benzoxazole-7-sulfonyl chloride
CID 83825760
2-iodo-7-methoxy-1-benzofuran
CID 147263066

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol?
The IUPAC name of 6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol (CID 118211209) is 6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol.
What is the SMILES notation for 6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol?
The canonical SMILES for 6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol is COc1cccc2c1c(O)cc1nc(C(C)C)oc12.
What is the InChIKey of 6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol?
The InChIKey is OBGDXPYYMSMSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-8(2)15-16-10-7-11(17)13-9(14(10)19-15)5-4-6-12(13)18-3/h4-8,17H,1-3H3.
What are the key properties of 6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol?
6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol has a molecular weight of 257.29 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-propan-2-ylbenzo[g][1,3]benzoxazol-5-ol is sourced from PubChem (CID 118211209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).