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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Related Compounds

(2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride
CID 68628093
2,3-bis(4-methylphenoxy)propan-1-ol
CID 3031029
2-bromo-3-(4-methylphenoxy)propan-1-ol
CID 86054992
2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol
CID 117246279
2-[4-[4-methoxy-2-[(4-methylphenoxy)methyl]butyl]sulfanyl-2-methylphenoxy]acetic acid
CID 70967247
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
4-[2-(hydroxymethyl)butoxy]phenol
CID 117241981
N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine
CID 107506620
1-(4-bromophenoxy)-4-methoxybutan-2-ol
CID 117236778
2-[[4-(trifluoromethyl)phenoxy]methyl]butane-1,4-diol
CID 117236902
1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene
CID 102206605
2-ethyl-4-methoxybutan-1-ol
CID 66058779

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).