methyl 2-(2-butylphenyl)acetate

C13H18O2 — CID 141125258

IUPACmethyl 2-(2-butylphenyl)acetate
SMILESCCCCc1ccccc1CC(=O)OC
InChIInChI=1S/C13H18O2/c1-3-4-7-11-8-5-6-9-12(11)10-13(14)15-2/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyGONXEABPIALSMM-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.74
Rot. Bonds5

About methyl 2-(2-butylphenyl)acetate

methyl 2-(2-butylphenyl)acetate (PubChem CID 141125258) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is methyl 2-(2-butylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-butylphenyl)acetate
PubChem CID141125258
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Namemethyl 2-(2-butylphenyl)acetate
SMILESCCCCc1ccccc1CC(=O)OC
InChIInChI=1S/C13H18O2/c1-3-4-7-11-8-5-6-9-12(11)10-13(14)15-2/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyGONXEABPIALSMM-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(butylsulfonylmethyl)phenyl]acetate
CID 115461291
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
methyl 2-(4-butylphenyl)acetate
CID 10442975
S-methyl 2-(2-butylphenyl)ethanethioate
CID 169145203
CID 159940559
CID 159940559
methyl 2-(2-octoxyphenyl)acetate
CID 70186261
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate
CID 115461715
methyl 2-[2-(propylsulfinylmethyl)phenyl]acetate
CID 115463243
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
methyl 2-(2-benzyl-5-pentylphenyl)acetate
CID 121334690

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-butylphenyl)acetate?
The IUPAC name of methyl 2-(2-butylphenyl)acetate (CID 141125258) is methyl 2-(2-butylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-butylphenyl)acetate?
The canonical SMILES for methyl 2-(2-butylphenyl)acetate is CCCCc1ccccc1CC(=O)OC.
What is the InChIKey of methyl 2-(2-butylphenyl)acetate?
The InChIKey is GONXEABPIALSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-4-7-11-8-5-6-9-12(11)10-13(14)15-2/h5-6,8-9H,3-4,7,10H2,1-2H3.
What are the key properties of methyl 2-(2-butylphenyl)acetate?
methyl 2-(2-butylphenyl)acetate has a molecular weight of 206.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-butylphenyl)acetate is sourced from PubChem (CID 141125258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).