[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol

C12H13NO3S — CID 112641042

IUPAC[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol
SMILESCOc1ccc(CO)c(OCc2cncs2)c1
InChIInChI=1S/C12H13NO3S/c1-15-10-3-2-9(6-14)12(4-10)16-7-11-5-13-8-17-11/h2-5,8,14H,6-7H2,1H3
InChIKeyLKIUQHAWENHDDA-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.22
Rot. Bonds5

About [4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol

[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol (PubChem CID 112641042) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is [4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol
PubChem CID112641042
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol
SMILESCOc1ccc(CO)c(OCc2cncs2)c1
InChIInChI=1S/C12H13NO3S/c1-15-10-3-2-9(6-14)12(4-10)16-7-11-5-13-8-17-11/h2-5,8,14H,6-7H2,1H3
InChIKeyLKIUQHAWENHDDA-UHFFFAOYSA-N
XLogP2.22
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641147
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640362
2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643613
N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978954
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640642
N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 115978909
[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640291
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641129
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 112640461
[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 61269053
5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640692
N-[[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978924

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol?
The IUPAC name of [4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol (CID 112641042) is [4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol?
The canonical SMILES for [4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol is COc1ccc(CO)c(OCc2cncs2)c1.
What is the InChIKey of [4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol?
The InChIKey is LKIUQHAWENHDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-15-10-3-2-9(6-14)12(4-10)16-7-11-5-13-8-17-11/h2-5,8,14H,6-7H2,1H3.
What are the key properties of [4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol?
[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol has a molecular weight of 251.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 112641042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).