1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol

C14H20O3 — CID 115834477

IUPAC1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H20O3/c1-10(2)5-6-14(15)11-7-12(16-3)9-13(8-11)17-4/h7-9,14-15H,1,5-6H2,2-4H3
InChIKeyPQBUPZGUBIBBEC-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.09
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol

1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol (PubChem CID 115834477) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol
PubChem CID115834477
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H20O3/c1-10(2)5-6-14(15)11-7-12(16-3)9-13(8-11)17-4/h7-9,14-15H,1,5-6H2,2-4H3
InChIKeyPQBUPZGUBIBBEC-UHFFFAOYSA-N
XLogP3.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.09
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

1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol
CID 114473769
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
1-(3,5-dimethoxyphenyl)-3-methylidenepentan-1-ol
CID 115817579
1-(3,5-dimethoxyphenyl)-2-methoxyethanol
CID 79567115
2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine
CID 136922434
4-methyl-1-pyrimidin-5-ylpent-4-en-1-ol
CID 102924122
1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol
CID 102950530
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
CID 114473799
1-(3,5-dimethoxyphenyl)-2-methylprop-2-en-1-amine
CID 105005540
6-(3,5-dimethoxyphenyl)-6-hydroxyhexane-2,4-dione
CID 10778147
1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol
CID 65148145
1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol
CID 114473809

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol (CID 115834477) is 1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol is C=C(C)CCC(O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol?
The InChIKey is PQBUPZGUBIBBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)5-6-14(15)11-7-12(16-3)9-13(8-11)17-4/h7-9,14-15H,1,5-6H2,2-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol?
1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol has a molecular weight of 236.31 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol is sourced from PubChem (CID 115834477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).