phenyl 2-(2-ethylphenyl)but-2-enoate

C18H18O2 — CID 178071064

IUPACphenyl 2-(2-ethylphenyl)but-2-enoate
SMILESCC=C(C(=O)Oc1ccccc1)c1ccccc1CC
InChIInChI=1S/C18H18O2/c1-3-14-10-8-9-13-17(14)16(4-2)18(19)20-15-11-6-5-7-12-15/h4-13H,3H2,1-2H3
InChIKeyMPNUGELNPFWDTM-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.26
Rot. Bonds4

About phenyl 2-(2-ethylphenyl)but-2-enoate

phenyl 2-(2-ethylphenyl)but-2-enoate (PubChem CID 178071064) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is phenyl 2-(2-ethylphenyl)but-2-enoate.

Molecular Properties

Compound Namephenyl 2-(2-ethylphenyl)but-2-enoate
PubChem CID178071064
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Namephenyl 2-(2-ethylphenyl)but-2-enoate
SMILESCC=C(C(=O)Oc1ccccc1)c1ccccc1CC
InChIInChI=1S/C18H18O2/c1-3-14-10-8-9-13-17(14)16(4-2)18(19)20-15-11-6-5-7-12-15/h4-13H,3H2,1-2H3
InChIKeyMPNUGELNPFWDTM-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene
CID 144535751
diphenyl oxalate;ethane
CID 162013592
2-ethylbenzoic acid;tungsten
CID 23518478
phenyl 2-cyano-3-(2-ethylphenyl)non-2-enoate
CID 130277897
bis(2-ethylbenzoate);lead(2+)
CID 101297382
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038
ethyl 2-(2-aminophenyl)but-2-enoate
CID 165178823
(2-ethylphenyl) 2-methylbut-2-enoate
CID 175294734
phenyl 2-butylbenzoate
CID 22439993
2-(2-ethylphenyl)-2-oxoacetic acid;hydrate
CID 174608087
(E)-1-phenoxyprop-1-en-1-ol
CID 21243991
ethyl 2-(2-phenylphenyl)but-2-enoate
CID 141332737

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(2-ethylphenyl)but-2-enoate?
The IUPAC name of phenyl 2-(2-ethylphenyl)but-2-enoate (CID 178071064) is phenyl 2-(2-ethylphenyl)but-2-enoate.
What is the SMILES notation for phenyl 2-(2-ethylphenyl)but-2-enoate?
The canonical SMILES for phenyl 2-(2-ethylphenyl)but-2-enoate is CC=C(C(=O)Oc1ccccc1)c1ccccc1CC.
What is the InChIKey of phenyl 2-(2-ethylphenyl)but-2-enoate?
The InChIKey is MPNUGELNPFWDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-14-10-8-9-13-17(14)16(4-2)18(19)20-15-11-6-5-7-12-15/h4-13H,3H2,1-2H3.
What are the key properties of phenyl 2-(2-ethylphenyl)but-2-enoate?
phenyl 2-(2-ethylphenyl)but-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(2-ethylphenyl)but-2-enoate is sourced from PubChem (CID 178071064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).