1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol

C13H18O3 — CID 115816972

IUPAC1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)c1ccc(OC)cc1OC
InChIInChI=1S/C13H18O3/c1-9(2)7-12(14)11-6-5-10(15-3)8-13(11)16-4/h5-6,8,12,14H,1,7H2,2-4H3
InChIKeyMHQPKRUJOVZCJF-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.70
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol

1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol (PubChem CID 115816972) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
PubChem CID115816972
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)c1ccc(OC)cc1OC
InChIInChI=1S/C13H18O3/c1-9(2)7-12(14)11-6-5-10(15-3)8-13(11)16-4/h5-6,8,12,14H,1,7H2,2-4H3
InChIKeyMHQPKRUJOVZCJF-UHFFFAOYSA-N
XLogP2.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65131405
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-(2,4-dimethoxyphenyl)-2-methylprop-2-en-1-amine
CID 105005449
2-[(1S)-1-amino-3-methylbut-3-enyl]-5-methoxyphenol
CID 171220210
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol (CID 115816972) is 1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol is C=C(C)CC(O)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol?
The InChIKey is MHQPKRUJOVZCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)7-12(14)11-6-5-10(15-3)8-13(11)16-4/h5-6,8,12,14H,1,7H2,2-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol?
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol has a molecular weight of 222.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol is sourced from PubChem (CID 115816972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).