bis(3-ethylphenyl)methyl prop-2-enoate

C20H22O2 — CID 134554193

IUPACbis(3-ethylphenyl)methyl prop-2-enoate
SMILESC=CC(=O)OC(c1cccc(CC)c1)c1cccc(CC)c1
InChIInChI=1S/C20H22O2/c1-4-15-9-7-11-17(13-15)20(22-19(21)6-3)18-12-8-10-16(5-2)14-18/h6-14,20H,3-5H2,1-2H3
InChIKeyREVWDUURANBKCG-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.63
Rot. Bonds6

About bis(3-ethylphenyl)methyl prop-2-enoate

bis(3-ethylphenyl)methyl prop-2-enoate (PubChem CID 134554193) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is bis(3-ethylphenyl)methyl prop-2-enoate.

Molecular Properties

Compound Namebis(3-ethylphenyl)methyl prop-2-enoate
PubChem CID134554193
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Namebis(3-ethylphenyl)methyl prop-2-enoate
SMILESC=CC(=O)OC(c1cccc(CC)c1)c1cccc(CC)c1
InChIInChI=1S/C20H22O2/c1-4-15-9-7-11-17(13-15)20(22-19(21)6-3)18-12-8-10-16(5-2)14-18/h6-14,20H,3-5H2,1-2H3
InChIKeyREVWDUURANBKCG-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(morpholin-4-ylmethyl)phenyl]ethyl prop-2-enoate
CID 141095807
1-phenylethyl prop-2-enoate
CID 175321764
(1R)-1-(3-ethylphenyl)but-3-en-1-amine
CID 55294318
benzyl-dimethyl-(1-prop-2-enoyloxypropyl)azanium
CID 174601755
1-propanoyloxyethyl 2-(3-ethylphenyl)propanoate
CID 89334043
methyl 2-(3-ethylphenyl)pentanoate
CID 142878372
1-phenylpropyl prop-2-enoate;sulfuric acid
CID 174783209
S-[3-(3-ethylphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821493
(1-ethoxy-3-phenylpropyl) prop-2-enoate
CID 118662658
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
1-butan-2-yl-3-ethylbenzene
CID 528681

Frequently Asked Questions

What is the IUPAC name of bis(3-ethylphenyl)methyl prop-2-enoate?
The IUPAC name of bis(3-ethylphenyl)methyl prop-2-enoate (CID 134554193) is bis(3-ethylphenyl)methyl prop-2-enoate.
What is the SMILES notation for bis(3-ethylphenyl)methyl prop-2-enoate?
The canonical SMILES for bis(3-ethylphenyl)methyl prop-2-enoate is C=CC(=O)OC(c1cccc(CC)c1)c1cccc(CC)c1.
What is the InChIKey of bis(3-ethylphenyl)methyl prop-2-enoate?
The InChIKey is REVWDUURANBKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-4-15-9-7-11-17(13-15)20(22-19(21)6-3)18-12-8-10-16(5-2)14-18/h6-14,20H,3-5H2,1-2H3.
What are the key properties of bis(3-ethylphenyl)methyl prop-2-enoate?
bis(3-ethylphenyl)methyl prop-2-enoate has a molecular weight of 294.39 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-ethylphenyl)methyl prop-2-enoate is sourced from PubChem (CID 134554193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).