2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol

C13H17NO3 — CID 39097258

IUPAC2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol
SMILESCCCOc1ccc2c(CCO)noc2c1C
InChIInChI=1S/C13H17NO3/c1-3-8-16-12-5-4-10-11(6-7-15)14-17-13(10)9(12)2/h4-5,15H,3,6-8H2,1-2H3
InChIKeyDAUNGVIYOMKCQY-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.46
Rot. Bonds5

About 2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol

2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol (PubChem CID 39097258) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol
PubChem CID39097258
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol
SMILESCCCOc1ccc2c(CCO)noc2c1C
InChIInChI=1S/C13H17NO3/c1-3-8-16-12-5-4-10-11(6-7-15)14-17-13(10)9(12)2/h4-5,15H,3,6-8H2,1-2H3
InChIKeyDAUNGVIYOMKCQY-UHFFFAOYSA-N
XLogP2.46
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol
CID 68917848
3-(2-chloroethyl)-7-methyl-6-phenylmethoxy-1,2-benzoxazole
CID 39097456
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol
CID 83939972
3-(2-chloroethyl)-7-methyl-6-(oxolan-2-ylmethoxy)-1,2-benzoxazole
CID 82027280
3-[2-(diethylamino)ethyl]-4,8-dimethyl-7-propoxychromene-2-thione
CID 142111777
1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol
CID 82266399
N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol
CID 68920303
[1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol
CID 68918068
[1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-1,2-benzoxazol-6-yl]oxymethyl]cyclopropyl]methanol
CID 68922564
N-ethyl-2,3-dimethyl-4-propoxyaniline
CID 82266389
3-methyl-4-propoxy-1H-pyridin-2-one
CID 66739454

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol?
The IUPAC name of 2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol (CID 39097258) is 2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol.
What is the SMILES notation for 2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol?
The canonical SMILES for 2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol is CCCOc1ccc2c(CCO)noc2c1C.
What is the InChIKey of 2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol?
The InChIKey is DAUNGVIYOMKCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-8-16-12-5-4-10-11(6-7-15)14-17-13(10)9(12)2/h4-5,15H,3,6-8H2,1-2H3.
What are the key properties of 2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol?
2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol has a molecular weight of 235.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethanol is sourced from PubChem (CID 39097258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).