3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol

C18H17NO3S — CID 46943541

IUPAC3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol
SMILESCOc1ccc(C(C)(O)c2nc(-c3cccc(O)c3)cs2)cc1
InChIInChI=1S/C18H17NO3S/c1-18(21,13-6-8-15(22-2)9-7-13)17-19-16(11-23-17)12-4-3-5-14(20)10-12/h3-11,20-21H,1-2H3
InChIKeyWQHVQIHVLAYRJP-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.78
Rot. Bonds4

About 3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol

3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol (PubChem CID 46943541) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol
PubChem CID46943541
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol
SMILESCOc1ccc(C(C)(O)c2nc(-c3cccc(O)c3)cs2)cc1
InChIInChI=1S/C18H17NO3S/c1-18(21,13-6-8-15(22-2)9-7-13)17-19-16(11-23-17)12-4-3-5-14(20)10-12/h3-11,20-21H,1-2H3
InChIKeyWQHVQIHVLAYRJP-UHFFFAOYSA-N
XLogP3.78
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol?
The IUPAC name of 3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol (CID 46943541) is 3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol is COc1ccc(C(C)(O)c2nc(-c3cccc(O)c3)cs2)cc1.
What is the InChIKey of 3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol?
The InChIKey is WQHVQIHVLAYRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-18(21,13-6-8-15(22-2)9-7-13)17-19-16(11-23-17)12-4-3-5-14(20)10-12/h3-11,20-21H,1-2H3.
What are the key properties of 3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol?
3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol has a molecular weight of 327.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 46943541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).