2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol

C13H15NO3 — CID 118728002

IUPAC2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol
SMILESCOc1cc(CCc2cc(C)no2)ccc1O
InChIInChI=1S/C13H15NO3/c1-9-7-11(17-14-9)5-3-10-4-6-12(15)13(8-10)16-2/h4,6-8,15H,3,5H2,1-2H3
InChIKeyURXGKKXXAQOTRL-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.48
Rot. Bonds4

About 2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol

2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol (PubChem CID 118728002) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol
PubChem CID118728002
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol
SMILESCOc1cc(CCc2cc(C)no2)ccc1O
InChIInChI=1S/C13H15NO3/c1-9-7-11(17-14-9)5-3-10-4-6-12(15)13(8-10)16-2/h4,6-8,15H,3,5H2,1-2H3
InChIKeyURXGKKXXAQOTRL-UHFFFAOYSA-N
XLogP2.48
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
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CID 10845923
2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol
CID 1204262
6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one
CID 162857287
5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one
CID 146036318
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol
CID 14578497
4-(iodomethyl)-2-methoxyphenol
CID 15255516
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol (CID 118728002) is 2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol is COc1cc(CCc2cc(C)no2)ccc1O.
What is the InChIKey of 2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol?
The InChIKey is URXGKKXXAQOTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9-7-11(17-14-9)5-3-10-4-6-12(15)13(8-10)16-2/h4,6-8,15H,3,5H2,1-2H3.
What are the key properties of 2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol?
2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol has a molecular weight of 233.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol is sourced from PubChem (CID 118728002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).