1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol

C14H20O2 — CID 115495898

IUPAC1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol
SMILESCC(C)=CCOc1ccc(CC(C)O)cc1
InChIInChI=1S/C14H20O2/c1-11(2)8-9-16-14-6-4-13(5-7-14)10-12(3)15/h4-8,12,15H,9-10H2,1-3H3
InChIKeyJBZNNCSSKLWGEN-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.95
Rot. Bonds5

About 1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol

1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol (PubChem CID 115495898) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol
PubChem CID115495898
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol
SMILESCC(C)=CCOc1ccc(CC(C)O)cc1
InChIInChI=1S/C14H20O2/c1-11(2)8-9-16-14-6-4-13(5-7-14)10-12(3)15/h4-8,12,15H,9-10H2,1-3H3
InChIKeyJBZNNCSSKLWGEN-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-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

N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 60878952
2-[4-(3-methylbut-2-enoxy)phenyl]acetonitrile
CID 5315425
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol
CID 115495734
1-[4-(4-methoxybutoxy)phenyl]propan-2-ol
CID 104648035
1-[4-(3-fluoropropoxy)phenyl]propan-2-ol
CID 115495812
4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol
CID 115495833
1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene
CID 132530536
2-[4-(2-hydroxypropyl)phenoxy]acetamide
CID 115495800
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114
(1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine
CID 78937175
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
5-[4-(2-hydroxypropyl)phenoxy]pentanenitrile
CID 113323096

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol?
The IUPAC name of 1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol (CID 115495898) is 1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol is CC(C)=CCOc1ccc(CC(C)O)cc1.
What is the InChIKey of 1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol?
The InChIKey is JBZNNCSSKLWGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)8-9-16-14-6-4-13(5-7-14)10-12(3)15/h4-8,12,15H,9-10H2,1-3H3.
What are the key properties of 1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol?
1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol has a molecular weight of 220.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol is sourced from PubChem (CID 115495898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).