2-(3-methylbutoxy)-4-prop-2-enylphenol

C14H20O2 — CID 24770349

IUPAC2-(3-methylbutoxy)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(OCCC(C)C)c1
InChIInChI=1S/C14H20O2/c1-4-5-12-6-7-13(15)14(10-12)16-9-8-11(2)3/h4,6-7,10-11,15H,1,5,8-9H2,2-3H3
InChIKeyDRSXNXAHDXAJAT-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.55
Rot. Bonds6

About 2-(3-methylbutoxy)-4-prop-2-enylphenol

2-(3-methylbutoxy)-4-prop-2-enylphenol (PubChem CID 24770349) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-(3-methylbutoxy)-4-prop-2-enylphenol
PubChem CID24770349
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(3-methylbutoxy)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(OCCC(C)C)c1
InChIInChI=1S/C14H20O2/c1-4-5-12-6-7-13(15)14(10-12)16-9-8-11(2)3/h4,6-7,10-11,15H,1,5,8-9H2,2-3H3
InChIKeyDRSXNXAHDXAJAT-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.55
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

2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
4-(3-methylbutoxy)-2-prop-2-enylphenol
CID 24770421
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
2-butan-2-yl-4-prop-2-enylphenol
CID 155933594
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
2-prop-2-enoxy-1,4-bis(prop-2-enyl)benzene
CID 66892127
1-fluoro-2-(2-methylpropoxy)-4-prop-2-enylbenzene
CID 91658243
ethoxybenzene;2-methoxy-4-prop-2-enylphenol
CID 69392132
2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene
CID 78421503
ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-4-prop-2-enylphenol?
The IUPAC name of 2-(3-methylbutoxy)-4-prop-2-enylphenol (CID 24770349) is 2-(3-methylbutoxy)-4-prop-2-enylphenol.
What is the SMILES notation for 2-(3-methylbutoxy)-4-prop-2-enylphenol?
The canonical SMILES for 2-(3-methylbutoxy)-4-prop-2-enylphenol is C=CCc1ccc(O)c(OCCC(C)C)c1.
What is the InChIKey of 2-(3-methylbutoxy)-4-prop-2-enylphenol?
The InChIKey is DRSXNXAHDXAJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-5-12-6-7-13(15)14(10-12)16-9-8-11(2)3/h4,6-7,10-11,15H,1,5,8-9H2,2-3H3.
What are the key properties of 2-(3-methylbutoxy)-4-prop-2-enylphenol?
2-(3-methylbutoxy)-4-prop-2-enylphenol has a molecular weight of 220.31 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-4-prop-2-enylphenol is sourced from PubChem (CID 24770349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).