ethyl 2-(4-butan-2-ylphenyl)butanoate

C16H24O2 — CID 10490801

IUPACethyl 2-(4-butan-2-ylphenyl)butanoate
SMILESCCOC(=O)C(CC)c1ccc(C(C)CC)cc1
InChIInChI=1S/C16H24O2/c1-5-12(4)13-8-10-14(11-9-13)15(6-2)16(17)18-7-3/h8-12,15H,5-7H2,1-4H3
InChIKeyHGLVAILYEVNQGH-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.26
Rot. Bonds6

About ethyl 2-(4-butan-2-ylphenyl)butanoate

ethyl 2-(4-butan-2-ylphenyl)butanoate (PubChem CID 10490801) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is ethyl 2-(4-butan-2-ylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 2-(4-butan-2-ylphenyl)butanoate
PubChem CID10490801
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Nameethyl 2-(4-butan-2-ylphenyl)butanoate
SMILESCCOC(=O)C(CC)c1ccc(C(C)CC)cc1
InChIInChI=1S/C16H24O2/c1-5-12(4)13-8-10-14(11-9-13)15(6-2)16(17)18-7-3/h8-12,15H,5-7H2,1-4H3
InChIKeyHGLVAILYEVNQGH-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-bromophenyl)butanoate
CID 57082745
ethyl 2-phenylbutanoate;sulfane
CID 174662373
ethyl 2-(3,4-dihydroxyphenyl)butanoate
CID 139641530
ethyl 2-[4-(2,5-dihydropyrrol-1-yl)phenyl]butanoate
CID 150033396
ethyl 2-(4-propan-2-ylphenyl)pentanoate
CID 83042532
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
ethyl 2-thiophen-3-ylbutanoate
CID 12577566
ethyl 2-[4-(hexadecylamino)phenyl]butanoate
CID 20525859
(4-butan-2-ylphenyl) 2-methylpropanoate
CID 155645541
amino 4-butan-2-ylbenzoate
CID 89484351
2-amino-2-(4-butan-2-ylphenyl)acetamide
CID 116850739
ethyl 4-(4-butan-2-ylanilino)-4-oxobutanoate
CID 60637740

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-butan-2-ylphenyl)butanoate?
The IUPAC name of ethyl 2-(4-butan-2-ylphenyl)butanoate (CID 10490801) is ethyl 2-(4-butan-2-ylphenyl)butanoate.
What is the SMILES notation for ethyl 2-(4-butan-2-ylphenyl)butanoate?
The canonical SMILES for ethyl 2-(4-butan-2-ylphenyl)butanoate is CCOC(=O)C(CC)c1ccc(C(C)CC)cc1.
What is the InChIKey of ethyl 2-(4-butan-2-ylphenyl)butanoate?
The InChIKey is HGLVAILYEVNQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-12(4)13-8-10-14(11-9-13)15(6-2)16(17)18-7-3/h8-12,15H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(4-butan-2-ylphenyl)butanoate?
ethyl 2-(4-butan-2-ylphenyl)butanoate has a molecular weight of 248.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-butan-2-ylphenyl)butanoate is sourced from PubChem (CID 10490801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).