3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol

C13H20O3 — CID 103027413

IUPAC3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1ccc(C(O)CC(C)(C)OC)cc1
InChIInChI=1S/C13H20O3/c1-13(2,16-4)9-12(14)10-5-7-11(15-3)8-6-10/h5-8,12,14H,9H2,1-4H3
InChIKeyDTWGDGSXTIKSSC-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.54
Rot. Bonds5

About 3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol

3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol (PubChem CID 103027413) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol
PubChem CID103027413
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1ccc(C(O)CC(C)(C)OC)cc1
InChIInChI=1S/C13H20O3/c1-13(2,16-4)9-12(14)10-5-7-11(15-3)8-6-10/h5-8,12,14H,9H2,1-4H3
InChIKeyDTWGDGSXTIKSSC-UHFFFAOYSA-N
XLogP2.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027660
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 63832253
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-(4-methoxyphenyl)octan-1-ol
CID 156764544
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
2-methoxy-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 12658876
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
CID 11572126
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 111333995

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of 3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol (CID 103027413) is 3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol is COc1ccc(C(O)CC(C)(C)OC)cc1.
What is the InChIKey of 3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is DTWGDGSXTIKSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-13(2,16-4)9-12(14)10-5-7-11(15-3)8-6-10/h5-8,12,14H,9H2,1-4H3.
What are the key properties of 3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol?
3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 103027413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).