3-(3-methoxy-3-methylbutoxy)phenol

C12H18O3 — CID 59527181

IUPAC3-(3-methoxy-3-methylbutoxy)phenol
SMILESCOC(C)(C)CCOc1cccc(O)c1
InChIInChI=1S/C12H18O3/c1-12(2,14-3)7-8-15-11-6-4-5-10(13)9-11/h4-6,9,13H,7-8H2,1-3H3
InChIKeyKMXHDBWSIOHCKT-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.59
Rot. Bonds5

About 3-(3-methoxy-3-methylbutoxy)phenol

3-(3-methoxy-3-methylbutoxy)phenol (PubChem CID 59527181) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutoxy)phenol.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutoxy)phenol
PubChem CID59527181
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-(3-methoxy-3-methylbutoxy)phenol
SMILESCOC(C)(C)CCOc1cccc(O)c1
InChIInChI=1S/C12H18O3/c1-12(2,14-3)7-8-15-11-6-4-5-10(13)9-11/h4-6,9,13H,7-8H2,1-3H3
InChIKeyKMXHDBWSIOHCKT-UHFFFAOYSA-N
XLogP2.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-methoxy-3-methylbutoxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(methylamino)ethoxy]phenol
CID 83619980
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
3-(3-methoxy-3-methylbutoxy)pyridine
CID 103037636
1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine
CID 103036253
3-dodecoxyphenol
CID 15719132
1,3-bis(3,3-dimethylbutoxy)benzene
CID 69310955
3-(3-ethylsulfonylpropoxy)phenol
CID 65097968
3-[2-(2-methoxyphenoxy)ethoxy]phenol
CID 39360613
[4-(3-methoxy-3-methylbutoxy)-2-methylphenyl]boronic acid
CID 103034423
sodium 3-methoxyphenol
CID 19079440
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
CID 39359626
1-bromo-4-(3-methoxy-3-methylbutoxy)-2-methylbenzene
CID 103033816

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutoxy)phenol?
The IUPAC name of 3-(3-methoxy-3-methylbutoxy)phenol (CID 59527181) is 3-(3-methoxy-3-methylbutoxy)phenol.
What is the SMILES notation for 3-(3-methoxy-3-methylbutoxy)phenol?
The canonical SMILES for 3-(3-methoxy-3-methylbutoxy)phenol is COC(C)(C)CCOc1cccc(O)c1.
What is the InChIKey of 3-(3-methoxy-3-methylbutoxy)phenol?
The InChIKey is KMXHDBWSIOHCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-12(2,14-3)7-8-15-11-6-4-5-10(13)9-11/h4-6,9,13H,7-8H2,1-3H3.
What are the key properties of 3-(3-methoxy-3-methylbutoxy)phenol?
3-(3-methoxy-3-methylbutoxy)phenol has a molecular weight of 210.27 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutoxy)phenol is sourced from PubChem (CID 59527181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).