4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol

C14H22O5 — CID 79355276

IUPAC4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol
SMILESCOc1cc(CO)cc(OC)c1OCCC(C)(C)O
InChIInChI=1S/C14H22O5/c1-14(2,16)5-6-19-13-11(17-3)7-10(9-15)8-12(13)18-4/h7-8,15-16H,5-6,9H2,1-4H3
InChIKeyYNZIPBVUPCGJMV-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.74
Rot. Bonds7

About 4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol

4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol (PubChem CID 79355276) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol
PubChem CID79355276
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol
SMILESCOc1cc(CO)cc(OC)c1OCCC(C)(C)O
InChIInChI=1S/C14H22O5/c1-14(2,16)5-6-19-13-11(17-3)7-10(9-15)8-12(13)18-4/h7-8,15-16H,5-6,9H2,1-4H3
InChIKeyYNZIPBVUPCGJMV-UHFFFAOYSA-N
XLogP1.74
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
CID 54958089
4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 107738999
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716
3-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79624420
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
[3-bromo-5-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol
CID 112590025
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol
CID 84691885
[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43516741
(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol
CID 15044964

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol (CID 79355276) is 4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol is COc1cc(CO)cc(OC)c1OCCC(C)(C)O.
What is the InChIKey of 4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol?
The InChIKey is YNZIPBVUPCGJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-14(2,16)5-6-19-13-11(17-3)7-10(9-15)8-12(13)18-4/h7-8,15-16H,5-6,9H2,1-4H3.
What are the key properties of 4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol?
4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol has a molecular weight of 270.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 79355276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).