1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol

C13H15NO3S — CID 43503800

IUPAC1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
SMILESCOc1cc(C(C)O)ccc1OCc1cscn1
InChIInChI=1S/C13H15NO3S/c1-9(15)10-3-4-12(13(5-10)16-2)17-6-11-7-18-8-14-11/h3-5,7-9,15H,6H2,1-2H3
InChIKeyZKBFUSHKVPRJLO-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.78
Rot. Bonds5

About 1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol

1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol (PubChem CID 43503800) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
PubChem CID43503800
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
SMILESCOc1cc(C(C)O)ccc1OCc1cscn1
InChIInChI=1S/C13H15NO3S/c1-9(15)10-3-4-12(13(5-10)16-2)17-6-11-7-18-8-14-11/h3-5,7-9,15H,6H2,1-2H3
InChIKeyZKBFUSHKVPRJLO-UHFFFAOYSA-N
XLogP2.78
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 43503813
(1S)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methoxyphenyl]ethanol
CID 78931623
(1S)-1-[3-methoxy-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 78931662
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
(1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 78931487
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid
CID 119211791
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
(1R)-1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 63364423
(1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 55188831
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butan-1-ol
CID 55188992
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]butanoic acid
CID 119223643

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol?
The IUPAC name of 1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol (CID 43503800) is 1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol is COc1cc(C(C)O)ccc1OCc1cscn1.
What is the InChIKey of 1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol?
The InChIKey is ZKBFUSHKVPRJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-9(15)10-3-4-12(13(5-10)16-2)17-6-11-7-18-8-14-11/h3-5,7-9,15H,6H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol?
1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol has a molecular weight of 265.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 43503800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).