ethyl 2-(4-propan-2-ylphenyl)benzoate

C18H20O2 — CID 59820247

IUPACethyl 2-(4-propan-2-ylphenyl)benzoate
SMILESCCOC(=O)c1ccccc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C18H20O2/c1-4-20-18(19)17-8-6-5-7-16(17)15-11-9-14(10-12-15)13(2)3/h5-13H,4H2,1-3H3
InChIKeyVOQDCLWGOYUYQH-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.65
Rot. Bonds4

About ethyl 2-(4-propan-2-ylphenyl)benzoate

ethyl 2-(4-propan-2-ylphenyl)benzoate (PubChem CID 59820247) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 2-(4-propan-2-ylphenyl)benzoate.

Molecular Properties

Compound Nameethyl 2-(4-propan-2-ylphenyl)benzoate
PubChem CID59820247
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Nameethyl 2-(4-propan-2-ylphenyl)benzoate
SMILESCCOC(=O)c1ccccc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C18H20O2/c1-4-20-18(19)17-8-6-5-7-16(17)15-11-9-14(10-12-15)13(2)3/h5-13H,4H2,1-3H3
InChIKeyVOQDCLWGOYUYQH-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-methylphenyl)benzoate
CID 10922668
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
ethyl 2-[4-(methylsulfonyloxymethyl)phenyl]benzoate
CID 21464175
diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate
CID 102239311
butan-2-yl 2-(4-methylphenyl)benzoate
CID 139650592
[2-(4-butan-2-ylanilino)-2-oxoethyl] 2-(4-methylphenyl)benzoate
CID 3616999
ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682452
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
nonyl 2-(4-methylphenyl)benzoate
CID 90306403
ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate
CID 18357939

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-propan-2-ylphenyl)benzoate?
The IUPAC name of ethyl 2-(4-propan-2-ylphenyl)benzoate (CID 59820247) is ethyl 2-(4-propan-2-ylphenyl)benzoate.
What is the SMILES notation for ethyl 2-(4-propan-2-ylphenyl)benzoate?
The canonical SMILES for ethyl 2-(4-propan-2-ylphenyl)benzoate is CCOC(=O)c1ccccc1-c1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 2-(4-propan-2-ylphenyl)benzoate?
The InChIKey is VOQDCLWGOYUYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-4-20-18(19)17-8-6-5-7-16(17)15-11-9-14(10-12-15)13(2)3/h5-13H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-propan-2-ylphenyl)benzoate?
ethyl 2-(4-propan-2-ylphenyl)benzoate has a molecular weight of 268.36 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-propan-2-ylphenyl)benzoate is sourced from PubChem (CID 59820247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).