2-methylbutyl 2-phenylbutanoate

C15H22O2 — CID 129279414

IUPAC2-methylbutyl 2-phenylbutanoate
SMILESCCC(C)COC(=O)C(CC)c1ccccc1
InChIInChI=1S/C15H22O2/c1-4-12(3)11-17-15(16)14(5-2)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3
InChIKeyGMKUWGBIHMOTNT-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.77
Rot. Bonds6

About 2-methylbutyl 2-phenylbutanoate

2-methylbutyl 2-phenylbutanoate (PubChem CID 129279414) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methylbutyl 2-phenylbutanoate.

Molecular Properties

Compound Name2-methylbutyl 2-phenylbutanoate
PubChem CID129279414
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-methylbutyl 2-phenylbutanoate
SMILESCCC(C)COC(=O)C(CC)c1ccccc1
InChIInChI=1S/C15H22O2/c1-4-12(3)11-17-15(16)14(5-2)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3
InChIKeyGMKUWGBIHMOTNT-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

aminomethyl 2-phenylbutanoate
CID 175260963
ethyl 2-phenylbutanoate;sulfane
CID 174662373
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
amino 2-phenylbutanoate
CID 21430295
prop-2-ynyl 2-phenylbutanoate
CID 78790069
bis(2-ethylbutyl) 2,5-diphenylhexanedioate
CID 518262
formaldehyde;bis(phenyl 2-phenylbutanoate)
CID 174580951
[4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate
CID 16663730
2-methylpentan-3-yl 2-phenylbutanoate
CID 91691821
carbonochloridoyl 2-phenylbutanoate
CID 88710388
2-methylpropyl 3-amino-2-phenylpropanoate
CID 62876752
ethenyl 2-phenylbutanoate
CID 10932238

Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl 2-phenylbutanoate?
The IUPAC name of 2-methylbutyl 2-phenylbutanoate (CID 129279414) is 2-methylbutyl 2-phenylbutanoate.
What is the SMILES notation for 2-methylbutyl 2-phenylbutanoate?
The canonical SMILES for 2-methylbutyl 2-phenylbutanoate is CCC(C)COC(=O)C(CC)c1ccccc1.
What is the InChIKey of 2-methylbutyl 2-phenylbutanoate?
The InChIKey is GMKUWGBIHMOTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-12(3)11-17-15(16)14(5-2)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3.
What are the key properties of 2-methylbutyl 2-phenylbutanoate?
2-methylbutyl 2-phenylbutanoate has a molecular weight of 234.34 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl 2-phenylbutanoate is sourced from PubChem (CID 129279414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).