butan-2-yl 2-(2-methoxyphenyl)acetate

C13H18O3 — CID 177225373

IUPACbutan-2-yl 2-(2-methoxyphenyl)acetate
SMILESCCC(C)OC(=O)Cc1ccccc1OC
InChIInChI=1S/C13H18O3/c1-4-10(2)16-13(14)9-11-7-5-6-8-12(11)15-3/h5-8,10H,4,9H2,1-3H3
InChIKeyWAFYYVARPQSUDA-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.58
Rot. Bonds5

About butan-2-yl 2-(2-methoxyphenyl)acetate

butan-2-yl 2-(2-methoxyphenyl)acetate (PubChem CID 177225373) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is butan-2-yl 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Namebutan-2-yl 2-(2-methoxyphenyl)acetate
PubChem CID177225373
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namebutan-2-yl 2-(2-methoxyphenyl)acetate
SMILESCCC(C)OC(=O)Cc1ccccc1OC
InChIInChI=1S/C13H18O3/c1-4-10(2)16-13(14)9-11-7-5-6-8-12(11)15-3/h5-8,10H,4,9H2,1-3H3
InChIKeyWAFYYVARPQSUDA-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-butan-2-yloxyphenyl)acetate
CID 152870971
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
2-methylpentyl 2-(2-methoxyphenyl)acetate
CID 129279384
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 25367347
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886117
1-butan-2-ylsulfanyl-3-(2-methoxyphenyl)propan-2-one
CID 65136628
[2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate
CID 57251946
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 46622593
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886418
butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 130331874
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-(2-methoxyphenyl)acetate?
The IUPAC name of butan-2-yl 2-(2-methoxyphenyl)acetate (CID 177225373) is butan-2-yl 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for butan-2-yl 2-(2-methoxyphenyl)acetate?
The canonical SMILES for butan-2-yl 2-(2-methoxyphenyl)acetate is CCC(C)OC(=O)Cc1ccccc1OC.
What is the InChIKey of butan-2-yl 2-(2-methoxyphenyl)acetate?
The InChIKey is WAFYYVARPQSUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-10(2)16-13(14)9-11-7-5-6-8-12(11)15-3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of butan-2-yl 2-(2-methoxyphenyl)acetate?
butan-2-yl 2-(2-methoxyphenyl)acetate has a molecular weight of 222.28 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 177225373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).