1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol

C13H18O2 — CID 79189896

IUPAC1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol
SMILESC=C(C)C(C)(O)Cc1ccc(OC)cc1
InChIInChI=1S/C13H18O2/c1-10(2)13(3,14)9-11-5-7-12(15-4)8-6-11/h5-8,14H,1,9H2,2-4H3
InChIKeyRZNWZXDGKVSNCJ-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.56
Rot. Bonds4

About 1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol

1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol (PubChem CID 79189896) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol
PubChem CID79189896
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol
SMILESC=C(C)C(C)(O)Cc1ccc(OC)cc1
InChIInChI=1S/C13H18O2/c1-10(2)13(3,14)9-11-5-7-12(15-4)8-6-11/h5-8,14H,1,9H2,2-4H3
InChIKeyRZNWZXDGKVSNCJ-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile
CID 79129241
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
3-[(dimethylamino)methyl]-1,2-bis(4-methoxyphenyl)but-3-en-2-ol;hydrochloride
CID 163512898
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270750
1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol
CID 79444953
1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 105402488
1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol
CID 65145568
1-(4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 55169667
2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
CID 14989929

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol?
The IUPAC name of 1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol (CID 79189896) is 1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol is C=C(C)C(C)(O)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol?
The InChIKey is RZNWZXDGKVSNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)13(3,14)9-11-5-7-12(15-4)8-6-11/h5-8,14H,1,9H2,2-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol?
1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol has a molecular weight of 206.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol is sourced from PubChem (CID 79189896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).