[(E)-3-(4-phenylphenyl)prop-2-enyl] formate

C16H14O2 — CID 140827492

IUPAC[(E)-3-(4-phenylphenyl)prop-2-enyl] formate
SMILESO=COC/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c17-13-18-12-4-5-14-8-10-16(11-9-14)15-6-2-1-3-7-15/h1-11,13H,12H2/b5-4+
InChIKeyZJKPHVQVAWZESV-SNAWJCMRSA-N
MW238.29 g/mol
LogP3.54
Rot. Bonds5

About [(E)-3-(4-phenylphenyl)prop-2-enyl] formate

[(E)-3-(4-phenylphenyl)prop-2-enyl] formate (PubChem CID 140827492) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is [(E)-3-(4-phenylphenyl)prop-2-enyl] formate.

Molecular Properties

Compound Name[(E)-3-(4-phenylphenyl)prop-2-enyl] formate
PubChem CID140827492
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name[(E)-3-(4-phenylphenyl)prop-2-enyl] formate
SMILESO=COC/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c17-13-18-12-4-5-14-8-10-16(11-9-14)15-6-2-1-3-7-15/h1-11,13H,12H2/b5-4+
InChIKeyZJKPHVQVAWZESV-SNAWJCMRSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbut-3-enyl formate
CID 91350820
3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate
CID 54275232
[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate
CID 174381521
[(E)-3-phenylprop-2-enyl] nitrite
CID 13161442
[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
CID 173173536
[(E)-3-[4-(4-oxopiperidin-1-yl)phenyl]prop-2-enyl] formate
CID 22973674
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
6-phenylhex-5-enyl formate
CID 91069626
[(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene
CID 10726289
[(E)-4-(4-phenylphenyl)-1-phosphonobut-3-enyl]phosphonic acid
CID 19814142
3-(3-phenylprop-2-enoxy)benzaldehyde
CID 53409573
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-phenylphenyl)prop-2-enyl] formate?
The IUPAC name of [(E)-3-(4-phenylphenyl)prop-2-enyl] formate (CID 140827492) is [(E)-3-(4-phenylphenyl)prop-2-enyl] formate.
What is the SMILES notation for [(E)-3-(4-phenylphenyl)prop-2-enyl] formate?
The canonical SMILES for [(E)-3-(4-phenylphenyl)prop-2-enyl] formate is O=COC/C=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(E)-3-(4-phenylphenyl)prop-2-enyl] formate?
The InChIKey is ZJKPHVQVAWZESV-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H14O2/c17-13-18-12-4-5-14-8-10-16(11-9-14)15-6-2-1-3-7-15/h1-11,13H,12H2/b5-4+.
What are the key properties of [(E)-3-(4-phenylphenyl)prop-2-enyl] formate?
[(E)-3-(4-phenylphenyl)prop-2-enyl] formate has a molecular weight of 238.29 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-phenylphenyl)prop-2-enyl] formate is sourced from PubChem (CID 140827492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).