3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol

C12H18O3 — CID 11031093

IUPAC3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc(OCC(C)(C)CO)cc1
InChIInChI=1S/C12H18O3/c1-12(2,8-13)9-15-11-6-4-10(14-3)5-7-11/h4-7,13H,8-9H2,1-3H3
InChIKeyOOJSMEUVCMECGQ-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.09
Rot. Bonds5

About 3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol

3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol (PubChem CID 11031093) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol
PubChem CID11031093
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc(OCC(C)(C)CO)cc1
InChIInChI=1S/C12H18O3/c1-12(2,8-13)9-15-11-6-4-10(14-3)5-7-11/h4-7,13H,8-9H2,1-3H3
InChIKeyOOJSMEUVCMECGQ-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol 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-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019164
1-(2,2-dimethylbutoxy)-4-methoxybenzene
CID 70980088
4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline
CID 139670226
1-(4-methoxyphenoxy)-2-methylpropan-2-amine
CID 18349748
(4-methoxyphenoxy)methanol
CID 20580272
1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol
CID 64803133
3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol
CID 175336330
3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol
CID 81217572
2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
CID 175668445
2-methoxy-2-(4-methoxyphenyl)propan-1-ol
CID 105449931
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol (CID 11031093) is 3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol is COc1ccc(OCC(C)(C)CO)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol?
The InChIKey is OOJSMEUVCMECGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-12(2,8-13)9-15-11-6-4-10(14-3)5-7-11/h4-7,13H,8-9H2,1-3H3.
What are the key properties of 3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol?
3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol has a molecular weight of 210.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 11031093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).