3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol

C15H20O3 — CID 163079433

IUPAC3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
SMILESCOc1ccc(C=CCO)cc1OCC=C(C)C
InChIInChI=1S/C15H20O3/c1-12(2)8-10-18-15-11-13(5-4-9-16)6-7-14(15)17-3/h4-8,11,16H,9-10H2,1-3H3
InChIKeyOHYNDJJEQNDIQL-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.05
Rot. Bonds6

About 3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol

3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol (PubChem CID 163079433) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
PubChem CID163079433
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
SMILESCOc1ccc(C=CCO)cc1OCC=C(C)C
InChIInChI=1S/C15H20O3/c1-12(2)8-10-18-15-11-13(5-4-9-16)6-7-14(15)17-3/h4-8,11,16H,9-10H2,1-3H3
InChIKeyOHYNDJJEQNDIQL-UHFFFAOYSA-N
XLogP3.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[3-methoxy-5-methyl-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol;(E)-3-[3-methyl-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 145196289
3-[3,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 85214400
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
3-[4-(7-hydroperoxy-3,7-dimethylocta-2,5-dienoxy)-3-methoxyphenyl]prop-2-en-1-ol
CID 162868720
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205
[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine
CID 60879625
1-methoxy-2-(3-methylbut-2-enoxy)benzene
CID 59165590
methyl 4-methoxy-3-(3-methylbut-2-enoxy)benzoate
CID 42624942
3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol
CID 169454426
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxybenzoic acid
CID 101130006

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol?
The IUPAC name of 3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol (CID 163079433) is 3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol?
The canonical SMILES for 3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol is COc1ccc(C=CCO)cc1OCC=C(C)C.
What is the InChIKey of 3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol?
The InChIKey is OHYNDJJEQNDIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-12(2)8-10-18-15-11-13(5-4-9-16)6-7-14(15)17-3/h4-8,11,16H,9-10H2,1-3H3.
What are the key properties of 3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol?
3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol has a molecular weight of 248.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 163079433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).