[(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate

C19H20O2 — CID 88580961

IUPAC[(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate
SMILESCCc1ccc(CC/C(=C\OC=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-2-16-8-10-17(11-9-16)12-13-19(14-21-15-20)18-6-4-3-5-7-18/h3-11,14-15H,2,12-13H2,1H3/b19-14+
InChIKeyRQPWUJAVEUZXCE-XMHGGMMESA-N
MW280.37 g/mol
LogP4.40
Rot. Bonds7

About [(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate

[(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate (PubChem CID 88580961) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate.

Molecular Properties

Compound Name[(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate
PubChem CID88580961
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name[(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate
SMILESCCc1ccc(CC/C(=C\OC=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-2-16-8-10-17(11-9-16)12-13-19(14-21-15-20)18-6-4-3-5-7-18/h3-11,14-15H,2,12-13H2,1H3/b19-14+
InChIKeyRQPWUJAVEUZXCE-XMHGGMMESA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methylsulfanylphenyl)-2-phenylbut-1-enyl] formate
CID 123964859
[(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate
CID 88580923
[(E)-2,4-diphenylbut-1-enoxy]methylbenzene
CID 134937265
methyl (Z)-3,5-diphenylpent-2-enoate
CID 118455591
benzoic acid;ethylbenzene;formic acid
CID 141050688
tert-butyl (Z)-3,5-diphenylpent-2-enoate
CID 118672322
[(E)-4-(4-bromo-2-fluorophenyl)-2-phenylbut-1-enyl] formate;(Z)-5-(4-bromo-2-fluorophenyl)-3-phenylpent-2-enoic acid
CID 159174587
ethylbenzene;ethyl formate
CID 123765960
[3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate
CID 123284272
ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane
CID 176991202
1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone
CID 43800835
ethylcyclodecapentaene
CID 90861705

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate?
The IUPAC name of [(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate (CID 88580961) is [(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate.
What is the SMILES notation for [(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate?
The canonical SMILES for [(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate is CCc1ccc(CC/C(=C\OC=O)c2ccccc2)cc1.
What is the InChIKey of [(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate?
The InChIKey is RQPWUJAVEUZXCE-XMHGGMMESA-N. The full InChI is InChI=1S/C19H20O2/c1-2-16-8-10-17(11-9-16)12-13-19(14-21-15-20)18-6-4-3-5-7-18/h3-11,14-15H,2,12-13H2,1H3/b19-14+.
What are the key properties of [(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate?
[(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate has a molecular weight of 280.37 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate is sourced from PubChem (CID 88580961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).