3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol

C12H18O4 — CID 59527538

IUPAC3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol
SMILESCOc1cc(O)cc(OCCC(C)(C)O)c1
InChIInChI=1S/C12H18O4/c1-12(2,14)4-5-16-11-7-9(13)6-10(8-11)15-3/h6-8,13-14H,4-5H2,1-3H3
InChIKeyDHZPLDHYJBVOMO-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.94
Rot. Bonds5

About 3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol

3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol (PubChem CID 59527538) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol
PubChem CID59527538
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol
SMILESCOc1cc(O)cc(OCCC(C)(C)O)c1
InChIInChI=1S/C12H18O4/c1-12(2,14)4-5-16-11-7-9(13)6-10(8-11)15-3/h6-8,13-14H,4-5H2,1-3H3
InChIKeyDHZPLDHYJBVOMO-UHFFFAOYSA-N
XLogP1.94
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol
CID 60878602
3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
5-[4-[3,5-bis[4-(3,5-dihydroxyphenoxy)butoxy]phenoxy]butoxy]benzene-1,3-diol
CID 53305209
3-(3,3-dimethylbutoxy)-5-methylphenol
CID 107679623
3-(3,3-dimethylbutoxy)-5-methoxybenzenecarbothioamide
CID 103567292
1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane
CID 162249384
4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79360631
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
CID 79353304
4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol
CID 79359399
4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol
CID 79355276

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol?
The IUPAC name of 3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol (CID 59527538) is 3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol?
The canonical SMILES for 3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol is COc1cc(O)cc(OCCC(C)(C)O)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol?
The InChIKey is DHZPLDHYJBVOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-12(2,14)4-5-16-11-7-9(13)6-10(8-11)15-3/h6-8,13-14H,4-5H2,1-3H3.
What are the key properties of 3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol?
3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol has a molecular weight of 226.27 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol is sourced from PubChem (CID 59527538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).