4-[(1E)-3-methoxybuta-1,3-dienyl]phenol

C11H12O2 — CID 144568960

IUPAC4-[(1E)-3-methoxybuta-1,3-dienyl]phenol
SMILESC=C(/C=C/c1ccc(O)cc1)OC
InChIInChI=1S/C11H12O2/c1-9(13-2)3-4-10-5-7-11(12)8-6-10/h3-8,12H,1H2,2H3/b4-3+
InChIKeyJOMJBSRNGPFJLY-ONEGZZNKSA-N
MW176.21 g/mol
LogP2.57
Rot. Bonds3

About 4-[(1E)-3-methoxybuta-1,3-dienyl]phenol

4-[(1E)-3-methoxybuta-1,3-dienyl]phenol (PubChem CID 144568960) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 4-[(1E)-3-methoxybuta-1,3-dienyl]phenol.

Molecular Properties

Compound Name4-[(1E)-3-methoxybuta-1,3-dienyl]phenol
PubChem CID144568960
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name4-[(1E)-3-methoxybuta-1,3-dienyl]phenol
SMILESC=C(/C=C/c1ccc(O)cc1)OC
InChIInChI=1S/C11H12O2/c1-9(13-2)3-4-10-5-7-11(12)8-6-10/h3-8,12H,1H2,2H3/b4-3+
InChIKeyJOMJBSRNGPFJLY-ONEGZZNKSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E)-3-methoxybuta-1,3-dienyl]phenol?
The IUPAC name of 4-[(1E)-3-methoxybuta-1,3-dienyl]phenol (CID 144568960) is 4-[(1E)-3-methoxybuta-1,3-dienyl]phenol.
What is the SMILES notation for 4-[(1E)-3-methoxybuta-1,3-dienyl]phenol?
The canonical SMILES for 4-[(1E)-3-methoxybuta-1,3-dienyl]phenol is C=C(/C=C/c1ccc(O)cc1)OC.
What is the InChIKey of 4-[(1E)-3-methoxybuta-1,3-dienyl]phenol?
The InChIKey is JOMJBSRNGPFJLY-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H12O2/c1-9(13-2)3-4-10-5-7-11(12)8-6-10/h3-8,12H,1H2,2H3/b4-3+.
What are the key properties of 4-[(1E)-3-methoxybuta-1,3-dienyl]phenol?
4-[(1E)-3-methoxybuta-1,3-dienyl]phenol has a molecular weight of 176.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E)-3-methoxybuta-1,3-dienyl]phenol is sourced from PubChem (CID 144568960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).