2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol

C15H18O2 — CID 72792519

IUPAC2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol
SMILESC=C=C(C)C(O)c1ccccc1OCC(=C)C
InChIInChI=1S/C15H18O2/c1-5-12(4)15(16)13-8-6-7-9-14(13)17-10-11(2)3/h6-9,15-16H,1-2,10H2,3-4H3
InChIKeyRAIHILVQCOMSBO-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.41
Rot. Bonds5

About 2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol

2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol (PubChem CID 72792519) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol
PubChem CID72792519
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol
SMILESC=C=C(C)C(O)c1ccccc1OCC(=C)C
InChIInChI=1S/C15H18O2/c1-5-12(4)15(16)13-8-6-7-9-14(13)17-10-11(2)3/h6-9,15-16H,1-2,10H2,3-4H3
InChIKeyRAIHILVQCOMSBO-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol?
The IUPAC name of 2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol (CID 72792519) is 2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol.
What is the SMILES notation for 2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol?
The canonical SMILES for 2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol is C=C=C(C)C(O)c1ccccc1OCC(=C)C.
What is the InChIKey of 2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol?
The InChIKey is RAIHILVQCOMSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-5-12(4)15(16)13-8-6-7-9-14(13)17-10-11(2)3/h6-9,15-16H,1-2,10H2,3-4H3.
What are the key properties of 2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol?
2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol has a molecular weight of 230.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol is sourced from PubChem (CID 72792519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).