4-(4-phenylbut-2-enyl)phenol

C16H16O — CID 66608492

IUPAC4-(4-phenylbut-2-enyl)phenol
SMILESOc1ccc(CC=CCc2ccccc2)cc1
InChIInChI=1S/C16H16O/c17-16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-7,10-13,17H,8-9H2
InChIKeyMJNOHIZIZLQUOO-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.73
Rot. Bonds4

About 4-(4-phenylbut-2-enyl)phenol

4-(4-phenylbut-2-enyl)phenol (PubChem CID 66608492) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(4-phenylbut-2-enyl)phenol.

Molecular Properties

Compound Name4-(4-phenylbut-2-enyl)phenol
PubChem CID66608492
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name4-(4-phenylbut-2-enyl)phenol
SMILESOc1ccc(CC=CCc2ccccc2)cc1
InChIInChI=1S/C16H16O/c17-16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-7,10-13,17H,8-9H2
InChIKeyMJNOHIZIZLQUOO-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
4-[[2-[(Z)-5-phenylpent-3-enyl]phenyl]methyl]phenol
CID 164935345
4-[(E)-3-fluoroprop-2-enyl]phenol
CID 22256147
CID 131886054
CID 131886054
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol
CID 160554981
4-phenylbut-2-ene-1-thiol
CID 54126363
[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
(2Z,7E)-1,9-bis(4-hydroxyphenyl)nona-2,7-diene-4,6-dione
CID 131752689
4-(hydroxymethyl)phenol;phenol
CID 141229785
2-(4-hydroxyphenyl)ethanethial
CID 54570188

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylbut-2-enyl)phenol?
The IUPAC name of 4-(4-phenylbut-2-enyl)phenol (CID 66608492) is 4-(4-phenylbut-2-enyl)phenol.
What is the SMILES notation for 4-(4-phenylbut-2-enyl)phenol?
The canonical SMILES for 4-(4-phenylbut-2-enyl)phenol is Oc1ccc(CC=CCc2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylbut-2-enyl)phenol?
The InChIKey is MJNOHIZIZLQUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c17-16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-7,10-13,17H,8-9H2.
What are the key properties of 4-(4-phenylbut-2-enyl)phenol?
4-(4-phenylbut-2-enyl)phenol has a molecular weight of 224.30 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylbut-2-enyl)phenol is sourced from PubChem (CID 66608492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).