4-buta-1,3-dien-2-ylphenol

C10H10O — CID 88757027

IUPAC4-buta-1,3-dien-2-ylphenol
SMILESC=CC(=C)c1ccc(O)cc1
InChIInChI=1S/C10H10O/c1-3-8(2)9-4-6-10(11)7-5-9/h3-7,11H,1-2H2
InChIKeyIBUABRSCQHREHJ-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.59
Rot. Bonds2

About 4-buta-1,3-dien-2-ylphenol

4-buta-1,3-dien-2-ylphenol (PubChem CID 88757027) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-buta-1,3-dien-2-ylphenol.

Molecular Properties

Compound Name4-buta-1,3-dien-2-ylphenol
PubChem CID88757027
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name4-buta-1,3-dien-2-ylphenol
SMILESC=CC(=C)c1ccc(O)cc1
InChIInChI=1S/C10H10O/c1-3-8(2)9-4-6-10(11)7-5-9/h3-7,11H,1-2H2
InChIKeyIBUABRSCQHREHJ-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-buta-1,3-dien-2-yl-4-fluorobenzene
CID 45090452
5-buta-1,3-dien-2-yl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 158184772
buta-1,3-diene;1-buta-1,3-dien-2-yl-4-methylbenzene
CID 174224739
CID 57429516
CID 57429516
buta-1,3-diene;buta-1,3-dien-2-ylbenzene
CID 159301078
4-buta-1,3-dien-2-ylbenzenesulfonic acid
CID 21365264
acetaldehyde;buta-1,3-dien-2-ylbenzene
CID 23325207
1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene
CID 147431279
3-buta-1,3-dien-2-ylthiophene;ethane;prop-1-ene
CID 143157871
4-(3,3,3-trifluoroprop-1-en-2-yl)phenol
CID 58177606
benzene-1,4-diol;hydron
CID 137356428
CID 158795306
CID 158795306

Frequently Asked Questions

What is the IUPAC name of 4-buta-1,3-dien-2-ylphenol?
The IUPAC name of 4-buta-1,3-dien-2-ylphenol (CID 88757027) is 4-buta-1,3-dien-2-ylphenol.
What is the SMILES notation for 4-buta-1,3-dien-2-ylphenol?
The canonical SMILES for 4-buta-1,3-dien-2-ylphenol is C=CC(=C)c1ccc(O)cc1.
What is the InChIKey of 4-buta-1,3-dien-2-ylphenol?
The InChIKey is IBUABRSCQHREHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-3-8(2)9-4-6-10(11)7-5-9/h3-7,11H,1-2H2.
What are the key properties of 4-buta-1,3-dien-2-ylphenol?
4-buta-1,3-dien-2-ylphenol has a molecular weight of 146.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-buta-1,3-dien-2-ylphenol is sourced from PubChem (CID 88757027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).