2-(3-methoxy-4-methylphenyl)ethyl acetate

C12H16O3 — CID 58508848

IUPAC2-(3-methoxy-4-methylphenyl)ethyl acetate
SMILESCOc1cc(CCOC(C)=O)ccc1C
InChIInChI=1S/C12H16O3/c1-9-4-5-11(8-12(9)14-3)6-7-15-10(2)13/h4-5,8H,6-7H2,1-3H3
InChIKeyOAROWMTZOZTBSC-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.11
Rot. Bonds4

About 2-(3-methoxy-4-methylphenyl)ethyl acetate

2-(3-methoxy-4-methylphenyl)ethyl acetate (PubChem CID 58508848) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)ethyl acetate.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)ethyl acetate
PubChem CID58508848
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(3-methoxy-4-methylphenyl)ethyl acetate
SMILESCOc1cc(CCOC(C)=O)ccc1C
InChIInChI=1S/C12H16O3/c1-9-4-5-11(8-12(9)14-3)6-7-15-10(2)13/h4-5,8H,6-7H2,1-3H3
InChIKeyOAROWMTZOZTBSC-UHFFFAOYSA-N
XLogP2.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-iodo-4-methoxyphenyl)ethyl acetate
CID 121223074
2-(3,4,5-trimethoxyphenyl)ethyl acetate
CID 151337220
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide
CID 119326320
dimethyl 2-[(3-methoxy-4-methylphenyl)methyl]propanedioate
CID 18626507
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
formamide;2-methoxy-1-methyl-4-pentylbenzene
CID 142217487
4-(3-bromopropyl)-2-methoxy-1-methylbenzene
CID 18626504
2-(3-chloro-4-hydroxyphenyl)ethyl acetate
CID 139884995
cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol
CID 71159032
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)ethyl acetate?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)ethyl acetate (CID 58508848) is 2-(3-methoxy-4-methylphenyl)ethyl acetate.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)ethyl acetate?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)ethyl acetate is COc1cc(CCOC(C)=O)ccc1C.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)ethyl acetate?
The InChIKey is OAROWMTZOZTBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-4-5-11(8-12(9)14-3)6-7-15-10(2)13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-(3-methoxy-4-methylphenyl)ethyl acetate?
2-(3-methoxy-4-methylphenyl)ethyl acetate has a molecular weight of 208.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)ethyl acetate is sourced from PubChem (CID 58508848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).