(E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol

C14H20O3 — CID 10704975

IUPAC(E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol
SMILESCOc1cc(C)cc(OC)c1C/C=C(\C)CO
InChIInChI=1S/C14H20O3/c1-10(9-15)5-6-12-13(16-3)7-11(2)8-14(12)17-4/h5,7-8,15H,6,9H2,1-4H3/b10-5+
InChIKeyMZNVICNSYPJROW-BJMVGYQFSA-N
MW236.31 g/mol
LogP2.49
Rot. Bonds5

About (E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol

(E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol (PubChem CID 10704975) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol
PubChem CID10704975
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol
SMILESCOc1cc(C)cc(OC)c1C/C=C(\C)CO
InChIInChI=1S/C14H20O3/c1-10(9-15)5-6-12-13(16-3)7-11(2)8-14(12)17-4/h5,7-8,15H,6,9H2,1-4H3/b10-5+
InChIKeyMZNVICNSYPJROW-BJMVGYQFSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.49
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

(E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol
CID 10493154
1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene
CID 86017681
[(E)-2-methyl-4-(2,4,6-trimethoxyphenyl)but-2-enyl] acetate
CID 67666062
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethyl-1,3-dimethoxybenzene
CID 167459397
3-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dimethoxyphenyl]prop-2-en-1-ol
CID 174472780
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
2-(2-bromo-6-methoxy-4-methylphenyl)ethanol
CID 11436497
1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
CID 54284542
2-(hydroxymethyl)-3-methoxy-5-methylbenzonitrile
CID 131532473
2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene
CID 59743812
4-[(2S)-8-(4-hydroxy-3-methylbut-2-enyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]benzene-1,3-diol
CID 162928973
1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one
CID 84782491

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol?
The IUPAC name of (E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol (CID 10704975) is (E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol.
What is the SMILES notation for (E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol?
The canonical SMILES for (E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol is COc1cc(C)cc(OC)c1C/C=C(\C)CO.
What is the InChIKey of (E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol?
The InChIKey is MZNVICNSYPJROW-BJMVGYQFSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(9-15)5-6-12-13(16-3)7-11(2)8-14(12)17-4/h5,7-8,15H,6,9H2,1-4H3/b10-5+.
What are the key properties of (E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol?
(E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol is sourced from PubChem (CID 10704975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).