4-(2-methoxyphenoxy)-2-methylbutan-1-ol

C12H18O3 — CID 66060440

IUPAC4-(2-methoxyphenoxy)-2-methylbutan-1-ol
SMILESCOc1ccccc1OCCC(C)CO
InChIInChI=1S/C12H18O3/c1-10(9-13)7-8-15-12-6-4-3-5-11(12)14-2/h3-6,10,13H,7-9H2,1-2H3
InChIKeyRJUBWLTVPWPHAX-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.09
Rot. Bonds6

About 4-(2-methoxyphenoxy)-2-methylbutan-1-ol

4-(2-methoxyphenoxy)-2-methylbutan-1-ol (PubChem CID 66060440) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-2-methylbutan-1-ol
PubChem CID66060440
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-(2-methoxyphenoxy)-2-methylbutan-1-ol
SMILESCOc1ccccc1OCCC(C)CO
InChIInChI=1S/C12H18O3/c1-10(9-13)7-8-15-12-6-4-3-5-11(12)14-2/h3-6,10,13H,7-9H2,1-2H3
InChIKeyRJUBWLTVPWPHAX-UHFFFAOYSA-N
XLogP2.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 4-(2-methoxyphenoxy)-2-methylbutan-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

4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol
CID 64803973
1-(2-methoxyphenoxy)pentan-3-ol
CID 112501425
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
1-[4-chloro-3-(chloromethyl)butoxy]-2-methoxybenzene
CID 79447279
2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium
CID 2262875
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
CID 63041236
2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid
CID 103973316
4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845245
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-2-methylbutan-1-ol?
The IUPAC name of 4-(2-methoxyphenoxy)-2-methylbutan-1-ol (CID 66060440) is 4-(2-methoxyphenoxy)-2-methylbutan-1-ol.
What is the SMILES notation for 4-(2-methoxyphenoxy)-2-methylbutan-1-ol?
The canonical SMILES for 4-(2-methoxyphenoxy)-2-methylbutan-1-ol is COc1ccccc1OCCC(C)CO.
What is the InChIKey of 4-(2-methoxyphenoxy)-2-methylbutan-1-ol?
The InChIKey is RJUBWLTVPWPHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-10(9-13)7-8-15-12-6-4-3-5-11(12)14-2/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 4-(2-methoxyphenoxy)-2-methylbutan-1-ol?
4-(2-methoxyphenoxy)-2-methylbutan-1-ol has a molecular weight of 210.27 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-2-methylbutan-1-ol is sourced from PubChem (CID 66060440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).