methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate

C19H20O4 — CID 91864413

IUPACmethyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate
SMILESCCc1cc(OCc2ccc(C(=O)OC)cc2)ccc1C(C)=O
InChIInChI=1S/C19H20O4/c1-4-15-11-17(9-10-18(15)13(2)20)23-12-14-5-7-16(8-6-14)19(21)22-3/h5-11H,4,12H2,1-3H3
InChIKeyINABLCIHKGJPFS-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.82
Rot. Bonds6

About methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate

methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate (PubChem CID 91864413) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate
PubChem CID91864413
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Namemethyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate
SMILESCCc1cc(OCc2ccc(C(=O)OC)cc2)ccc1C(C)=O
InChIInChI=1S/C19H20O4/c1-4-15-11-17(9-10-18(15)13(2)20)23-12-14-5-7-16(8-6-14)19(21)22-3/h5-11H,4,12H2,1-3H3
InChIKeyINABLCIHKGJPFS-UHFFFAOYSA-N
XLogP3.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-bromophenyl)methoxy]-2-ethylphenyl]ethanone
CID 91864406
1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone
CID 155703815
methyl 2-acetyl-5-[(4-chlorophenyl)methoxy]benzoate
CID 91864100
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
methyl 4-[(4-amino-3-methylphenoxy)methyl]benzoate
CID 28942601
methyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 9172369
methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60880616
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
(2-acetyl-5-phenylmethoxyphenyl) benzoate
CID 4189871
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone
CID 91864376

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate?
The IUPAC name of methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate (CID 91864413) is methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate.
What is the SMILES notation for methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate?
The canonical SMILES for methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate is CCc1cc(OCc2ccc(C(=O)OC)cc2)ccc1C(C)=O.
What is the InChIKey of methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate?
The InChIKey is INABLCIHKGJPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-4-15-11-17(9-10-18(15)13(2)20)23-12-14-5-7-16(8-6-14)19(21)22-3/h5-11H,4,12H2,1-3H3.
What are the key properties of methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate?
methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate has a molecular weight of 312.37 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate is sourced from PubChem (CID 91864413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).