4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol

C13H20O3 — CID 62161184

IUPAC4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
SMILESCOCCC(O)Cc1cc(C)ccc1OC
InChIInChI=1S/C13H20O3/c1-10-4-5-13(16-3)11(8-10)9-12(14)6-7-15-2/h4-5,8,12,14H,6-7,9H2,1-3H3
InChIKeyQYXJLUCXMGGMAT-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.94
Rot. Bonds6

About 4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol

4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol (PubChem CID 62161184) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
PubChem CID62161184
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
SMILESCOCCC(O)Cc1cc(C)ccc1OC
InChIInChI=1S/C13H20O3/c1-10-4-5-13(16-3)11(8-10)9-12(14)6-7-15-2/h4-5,8,12,14H,6-7,9H2,1-3H3
InChIKeyQYXJLUCXMGGMAT-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
CID 82080605
1-(5-bromo-2-methoxyphenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927579
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol
CID 65091903
1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol
CID 65091964
1-(4-chlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62161181
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62162037
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461
1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 103560056

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol?
The IUPAC name of 4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol (CID 62161184) is 4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol.
What is the SMILES notation for 4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol?
The canonical SMILES for 4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol is COCCC(O)Cc1cc(C)ccc1OC.
What is the InChIKey of 4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol?
The InChIKey is QYXJLUCXMGGMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-10-4-5-13(16-3)11(8-10)9-12(14)6-7-15-2/h4-5,8,12,14H,6-7,9H2,1-3H3.
What are the key properties of 4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol?
4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol is sourced from PubChem (CID 62161184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).