4-[(1Z)-buta-1,3-dienyl]phenol

C10H10O — CID 45082834

IUPAC4-[(1Z)-buta-1,3-dienyl]phenol
SMILESC=C/C=C\c1ccc(O)cc1
InChIInChI=1S/C10H10O/c1-2-3-4-9-5-7-10(11)8-6-9/h2-8,11H,1H2/b4-3-
InChIKeyQPFTUXZQTWMAOU-ARJAWSKDSA-N
MW146.19 g/mol
LogP2.59
Rot. Bonds2

About 4-[(1Z)-buta-1,3-dienyl]phenol

4-[(1Z)-buta-1,3-dienyl]phenol (PubChem CID 45082834) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]phenol.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]phenol
PubChem CID45082834
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name4-[(1Z)-buta-1,3-dienyl]phenol
SMILESC=C/C=C\c1ccc(O)cc1
InChIInChI=1S/C10H10O/c1-2-3-4-9-5-7-10(11)8-6-9/h2-8,11H,1H2/b4-3-
InChIKeyQPFTUXZQTWMAOU-ARJAWSKDSA-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

4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
4-buta-1,3-dienylaniline
CID 59878075
(Z)-3-(4-hydroxyphenyl)prop-2-enal
CID 57400876
1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene
CID 73415199
4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol
CID 87425519
4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol
CID 167353399
benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129
1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene
CID 11148298
2-[4-[(1E)-buta-1,3-dienyl]phenyl]acetic acid
CID 143366229
4-(2-phenylethenyl)phenol
CID 157400568
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium
CID 157160802

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]phenol?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]phenol (CID 45082834) is 4-[(1Z)-buta-1,3-dienyl]phenol.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]phenol?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]phenol is C=C/C=C\c1ccc(O)cc1.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]phenol?
The InChIKey is QPFTUXZQTWMAOU-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H10O/c1-2-3-4-9-5-7-10(11)8-6-9/h2-8,11H,1H2/b4-3-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]phenol?
4-[(1Z)-buta-1,3-dienyl]phenol 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-[(1Z)-buta-1,3-dienyl]phenol is sourced from PubChem (CID 45082834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).