4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol

C13H20O2 — CID 115625003

IUPAC4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol
SMILESCOCC(C)C(O)Cc1cccc(C)c1
InChIInChI=1S/C13H20O2/c1-10-5-4-6-12(7-10)8-13(14)11(2)9-15-3/h4-7,11,13-14H,8-9H2,1-3H3
InChIKeyXZNFHCDZPQQVHI-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.18
Rot. Bonds5

About 4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol

4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol (PubChem CID 115625003) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol
PubChem CID115625003
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol
SMILESCOCC(C)C(O)Cc1cccc(C)c1
InChIInChI=1S/C13H20O2/c1-10-5-4-6-12(7-10)8-13(14)11(2)9-15-3/h4-7,11,13-14H,8-9H2,1-3H3
InChIKeyXZNFHCDZPQQVHI-UHFFFAOYSA-N
XLogP2.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol
CID 114978141
1,1-diethoxy-3-(3-methylphenyl)propan-2-ol
CID 79496151
1-(2-chloro-4-methylphenyl)-4-methoxy-3-methylbutan-2-ol
CID 106866649
1-(2-bromo-4-methoxybutyl)-3-methylbenzene
CID 63016524
3-ethoxy-1-(3-methylphenyl)pentan-2-ol
CID 116711208
1-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-2,4-diol
CID 123606812
4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 116501648
3-methyl-1-(3-methylphenyl)pentan-2-amine
CID 62388327
N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 105091118
1-[2-(2-methoxyethoxy)phenyl]-2-(3-methylphenyl)ethanol
CID 104659510
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide
CID 53314010

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol?
The IUPAC name of 4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol (CID 115625003) is 4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol.
What is the SMILES notation for 4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol?
The canonical SMILES for 4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol is COCC(C)C(O)Cc1cccc(C)c1.
What is the InChIKey of 4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol?
The InChIKey is XZNFHCDZPQQVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10-5-4-6-12(7-10)8-13(14)11(2)9-15-3/h4-7,11,13-14H,8-9H2,1-3H3.
What are the key properties of 4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol?
4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol is sourced from PubChem (CID 115625003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).