3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one

C19H30O3 — CID 163264197

IUPAC3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one
SMILESC=C(OC)C(C)CO.CCCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H18O.C6H12O2/c1-4-5-13(14)12-8-6-11(7-9-12)10(2)3;1-5(4-7)6(2)8-3/h6-10H,4-5H2,1-3H3;5,7H,2,4H2,1,3H3
InChIKeyLVDSAUHFSJJHKY-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.57
Rot. Bonds7

About 3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one

3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one (PubChem CID 163264197) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one.

Molecular Properties

Compound Name3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one
PubChem CID163264197
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one
SMILESC=C(OC)C(C)CO.CCCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H18O.C6H12O2/c1-4-5-13(14)12-8-6-11(7-9-12)10(2)3;1-5(4-7)6(2)8-3/h6-10H,4-5H2,1-3H3;5,7H,2,4H2,1,3H3
InChIKeyLVDSAUHFSJJHKY-UHFFFAOYSA-N
XLogP4.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
1-(4-propan-2-ylphenyl)hexane-1,3-dione
CID 61393311
3-methyl-5-methylsulfanylpent-1-en-2-amine;1-(4-propan-2-ylphenyl)butan-1-one
CID 163264356
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
1-[4-(N-(4-pentanoylphenyl)-4-propan-2-ylanilino)phenyl]pentan-1-one
CID 118530705
4,4-dimethoxy-1-(4-propan-2-ylphenyl)butane-1,3-dione
CID 55114433
3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 43625070
4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one
CID 64565089
1-[4-(propan-2-ylamino)phenyl]butan-1-one
CID 18723683
6-oxo-6-(4-propan-2-ylphenyl)hexanamide
CID 174637388
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 104552733

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one?
The IUPAC name of 3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one (CID 163264197) is 3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one.
What is the SMILES notation for 3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one?
The canonical SMILES for 3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one is C=C(OC)C(C)CO.CCCC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one?
The InChIKey is LVDSAUHFSJJHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C6H12O2/c1-4-5-13(14)12-8-6-11(7-9-12)10(2)3;1-5(4-7)6(2)8-3/h6-10H,4-5H2,1-3H3;5,7H,2,4H2,1,3H3.
What are the key properties of 3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one?
3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one has a molecular weight of 306.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylbut-3-en-1-ol;1-(4-propan-2-ylphenyl)butan-1-one is sourced from PubChem (CID 163264197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).