4-[(E)-4-phenylbut-2-enyl]phenol

C16H16O — CID 66608491

IUPAC4-[(E)-4-phenylbut-2-enyl]phenol
SMILESOc1ccc(C/C=C/Cc2ccccc2)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/b5-4+
InChIKeyMJNOHIZIZLQUOO-SNAWJCMRSA-N
MW224.30 g/mol
LogP3.73
Rot. Bonds4

About 4-[(E)-4-phenylbut-2-enyl]phenol

4-[(E)-4-phenylbut-2-enyl]phenol (PubChem CID 66608491) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[(E)-4-phenylbut-2-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-4-phenylbut-2-enyl]phenol
PubChem CID66608491
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name4-[(E)-4-phenylbut-2-enyl]phenol
SMILESOc1ccc(C/C=C/Cc2ccccc2)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/b5-4+
InChIKeyMJNOHIZIZLQUOO-SNAWJCMRSA-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-(4-phenylbut-2-enyl)phenol
CID 66608492
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
2-(4-hydroxyphenyl)ethanethial
CID 54570188
4-(hydroxymethyl)phenol;phenol
CID 141229785

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-phenylbut-2-enyl]phenol?
The IUPAC name of 4-[(E)-4-phenylbut-2-enyl]phenol (CID 66608491) is 4-[(E)-4-phenylbut-2-enyl]phenol.
What is the SMILES notation for 4-[(E)-4-phenylbut-2-enyl]phenol?
The canonical SMILES for 4-[(E)-4-phenylbut-2-enyl]phenol is Oc1ccc(C/C=C/Cc2ccccc2)cc1.
What is the InChIKey of 4-[(E)-4-phenylbut-2-enyl]phenol?
The InChIKey is MJNOHIZIZLQUOO-SNAWJCMRSA-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/b5-4+.
What are the key properties of 4-[(E)-4-phenylbut-2-enyl]phenol?
4-[(E)-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-[(E)-4-phenylbut-2-enyl]phenol is sourced from PubChem (CID 66608491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).