4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol

C13H20O3 — CID 117236908

IUPAC4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol
SMILESCOCCC(CO)COc1ccc(C)cc1
InChIInChI=1S/C13H20O3/c1-11-3-5-13(6-4-11)16-10-12(9-14)7-8-15-2/h3-6,12,14H,7-10H2,1-2H3
InChIKeyWZIAWUKTQMNHFL-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.02
Rot. Bonds7

About 4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol

4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol (PubChem CID 117236908) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol
PubChem CID117236908
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol
SMILESCOCCC(CO)COc1ccc(C)cc1
InChIInChI=1S/C13H20O3/c1-11-3-5-13(6-4-11)16-10-12(9-14)7-8-15-2/h3-6,12,14H,7-10H2,1-2H3
InChIKeyWZIAWUKTQMNHFL-UHFFFAOYSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol?
The IUPAC name of 4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol (CID 117236908) is 4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol.
What is the SMILES notation for 4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol?
The canonical SMILES for 4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol is COCCC(CO)COc1ccc(C)cc1.
What is the InChIKey of 4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol?
The InChIKey is WZIAWUKTQMNHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-11-3-5-13(6-4-11)16-10-12(9-14)7-8-15-2/h3-6,12,14H,7-10H2,1-2H3.
What are the key properties of 4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol?
4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol is sourced from PubChem (CID 117236908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).