methyl 2-(4-butylphenyl)acetate

C13H18O2 — CID 10442975

IUPACmethyl 2-(4-butylphenyl)acetate
SMILESCCCCc1ccc(CC(=O)OC)cc1
InChIInChI=1S/C13H18O2/c1-3-4-5-11-6-8-12(9-7-11)10-13(14)15-2/h6-9H,3-5,10H2,1-2H3
InChIKeyOGXWENQUBCGNFG-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.74
Rot. Bonds5

About methyl 2-(4-butylphenyl)acetate

methyl 2-(4-butylphenyl)acetate (PubChem CID 10442975) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is methyl 2-(4-butylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-butylphenyl)acetate
PubChem CID10442975
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Namemethyl 2-(4-butylphenyl)acetate
SMILESCCCCc1ccc(CC(=O)OC)cc1
InChIInChI=1S/C13H18O2/c1-3-4-5-11-6-8-12(9-7-11)10-13(14)15-2/h6-9H,3-5,10H2,1-2H3
InChIKeyOGXWENQUBCGNFG-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

2-(4-butylphenyl)-N-methoxyacetamide
CID 60701248
propyl 2-(4-butylphenyl)acetate
CID 112724824
methyl 2-(2-butylphenyl)acetate
CID 141125258
methyl 2-[4-[2-(butylamino)-2-oxoethoxy]phenyl]acetate
CID 112786526
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
methyl 2-[4-[2-[(4-butylphenyl)methyl-methylsulfonylamino]ethyl]phenyl]acetate;methyl 2-[4-[2-(methanesulfonamido)ethyl]phenyl]acetate
CID 157328859
methyl 2-[4-[(3-phenylpropylamino)methyl]phenyl]acetate
CID 66774988
methyl 2-(2-benzyl-5-pentylphenyl)acetate
CID 121334690
methyl 4-oxo-5-(4-propylphenyl)pentanoate
CID 63900279
2-(4-butylphenyl)-N-cyanoacetamide
CID 79195321
methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate
CID 43408407

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-butylphenyl)acetate?
The IUPAC name of methyl 2-(4-butylphenyl)acetate (CID 10442975) is methyl 2-(4-butylphenyl)acetate.
What is the SMILES notation for methyl 2-(4-butylphenyl)acetate?
The canonical SMILES for methyl 2-(4-butylphenyl)acetate is CCCCc1ccc(CC(=O)OC)cc1.
What is the InChIKey of methyl 2-(4-butylphenyl)acetate?
The InChIKey is OGXWENQUBCGNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-4-5-11-6-8-12(9-7-11)10-13(14)15-2/h6-9H,3-5,10H2,1-2H3.
What are the key properties of methyl 2-(4-butylphenyl)acetate?
methyl 2-(4-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-(4-butylphenyl)acetate is sourced from PubChem (CID 10442975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).