2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate

C21H22O2 — CID 162070646

IUPAC2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1ccc(CCOC(=O)c2ccc(C(=C)C)cc2)cc1
InChIInChI=1S/C21H22O2/c1-15(2)18-7-5-17(6-8-18)13-14-23-21(22)20-11-9-19(10-12-20)16(3)4/h5-12H,1,3,13-14H2,2,4H3
InChIKeyNBVYQSCPRMMHRB-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.15
Rot. Bonds6

About 2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate

2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate (PubChem CID 162070646) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate.

Molecular Properties

Compound Name2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate
PubChem CID162070646
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1ccc(CCOC(=O)c2ccc(C(=C)C)cc2)cc1
InChIInChI=1S/C21H22O2/c1-15(2)18-7-5-17(6-8-18)13-14-23-21(22)20-11-9-19(10-12-20)16(3)4/h5-12H,1,3,13-14H2,2,4H3
InChIKeyNBVYQSCPRMMHRB-UHFFFAOYSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 162013248
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sulfanylmethyl 4-prop-1-en-2-ylbenzoate
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[4-[2-[4-[4-[2-(2-oxopropanoyloxy)ethyl]benzoyl]oxybenzoyl]oxyethyl]phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethyl]benzoate
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CID 129197747
2-(2-methylprop-2-enoyloxy)ethyl 4-methylbenzoate
CID 20723903
2-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(2-methylprop-2-enoyloxymethoxy)benzoate
CID 130417195
2-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]ethyl 4-(2-methylprop-2-enoyloxymethoxy)benzoate
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2-phenylethyl 4-hydroxybenzoate
CID 11977778
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CID 7807591

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate?
The IUPAC name of 2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate (CID 162070646) is 2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate.
What is the SMILES notation for 2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate?
The canonical SMILES for 2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate is C=C(C)c1ccc(CCOC(=O)c2ccc(C(=C)C)cc2)cc1.
What is the InChIKey of 2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate?
The InChIKey is NBVYQSCPRMMHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c1-15(2)18-7-5-17(6-8-18)13-14-23-21(22)20-11-9-19(10-12-20)16(3)4/h5-12H,1,3,13-14H2,2,4H3.
What are the key properties of 2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate?
2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate has a molecular weight of 306.41 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate is sourced from PubChem (CID 162070646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).