2-ethylhexyl 2,3-diphenylprop-2-enoate

C23H28O2 — CID 66844667

IUPAC2-ethylhexyl 2,3-diphenylprop-2-enoate
SMILESCCCCC(CC)COC(=O)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O2/c1-3-5-12-19(4-2)18-25-23(24)22(21-15-10-7-11-16-21)17-20-13-8-6-9-14-20/h6-11,13-17,19H,3-5,12,18H2,1-2H3
InChIKeyUTLIKAJJYFXDBO-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.99
Rot. Bonds9

About 2-ethylhexyl 2,3-diphenylprop-2-enoate

2-ethylhexyl 2,3-diphenylprop-2-enoate (PubChem CID 66844667) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-ethylhexyl 2,3-diphenylprop-2-enoate.

Molecular Properties

Compound Name2-ethylhexyl 2,3-diphenylprop-2-enoate
PubChem CID66844667
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name2-ethylhexyl 2,3-diphenylprop-2-enoate
SMILESCCCCC(CC)COC(=O)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O2/c1-3-5-12-19(4-2)18-25-23(24)22(21-15-10-7-11-16-21)17-20-13-8-6-9-14-20/h6-11,13-17,19H,3-5,12,18H2,1-2H3
InChIKeyUTLIKAJJYFXDBO-UHFFFAOYSA-N
XLogP5.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexyl (Z)-2-(3-cyanophenyl)-3-phenylprop-2-enoate
CID 140966918
[(2S)-2-ethylhexyl] 3-phenylprop-2-enoate
CID 162860672
2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate
CID 175186359
benzoic acid;2-ethylhexyl benzoate
CID 90214866
4-(2-ethylhexoxycarbonyl)penta-2,4-dienoic acid;styrene
CID 87319576
2-ethylhexyl 5-phenylpenta-2,4-dienoate
CID 139603020
(E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 133244558
bis(2-ethylhexyl) 2-[(3,5-dimethoxyphenyl)methylidene]propanedioate
CID 69099655
2-ethylhexyl 2-methylprop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid
CID 67332717
bis(2-ethylhexyl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2-methylbutyl) 2-[(4-methoxyphenyl)methylidene]propanedioate
CID 160963893
benzoic acid;2-ethylhexyl 2-hydroxyoctadecanoate
CID 69493926
[(E)-4-(2-ethylhexoxy)-4-oxobut-2-enoyl]oxy-phenylmercury
CID 16684197

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2,3-diphenylprop-2-enoate?
The IUPAC name of 2-ethylhexyl 2,3-diphenylprop-2-enoate (CID 66844667) is 2-ethylhexyl 2,3-diphenylprop-2-enoate.
What is the SMILES notation for 2-ethylhexyl 2,3-diphenylprop-2-enoate?
The canonical SMILES for 2-ethylhexyl 2,3-diphenylprop-2-enoate is CCCCC(CC)COC(=O)C(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-ethylhexyl 2,3-diphenylprop-2-enoate?
The InChIKey is UTLIKAJJYFXDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-3-5-12-19(4-2)18-25-23(24)22(21-15-10-7-11-16-21)17-20-13-8-6-9-14-20/h6-11,13-17,19H,3-5,12,18H2,1-2H3.
What are the key properties of 2-ethylhexyl 2,3-diphenylprop-2-enoate?
2-ethylhexyl 2,3-diphenylprop-2-enoate has a molecular weight of 336.48 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2,3-diphenylprop-2-enoate is sourced from PubChem (CID 66844667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).