methyl 4-[(4-propanoylphenoxy)methyl]benzoate

C18H18O4 — CID 877977

IUPACmethyl 4-[(4-propanoylphenoxy)methyl]benzoate
SMILESCCC(=O)c1ccc(OCc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C18H18O4/c1-3-17(19)14-8-10-16(11-9-14)22-12-13-4-6-15(7-5-13)18(20)21-2/h4-11H,3,12H2,1-2H3
InChIKeyGZXGEVPIMJVUOJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.64
Rot. Bonds6

About methyl 4-[(4-propanoylphenoxy)methyl]benzoate

methyl 4-[(4-propanoylphenoxy)methyl]benzoate (PubChem CID 877977) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 4-[(4-propanoylphenoxy)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-propanoylphenoxy)methyl]benzoate
PubChem CID877977
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Namemethyl 4-[(4-propanoylphenoxy)methyl]benzoate
SMILESCCC(=O)c1ccc(OCc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C18H18O4/c1-3-17(19)14-8-10-16(11-9-14)22-12-13-4-6-15(7-5-13)18(20)21-2/h4-11H,3,12H2,1-2H3
InChIKeyGZXGEVPIMJVUOJ-UHFFFAOYSA-N
XLogP3.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one
CID 82147468
methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60880616
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 4-[[4-[(2R)-2-bromopropanoyl]phenoxy]methyl]benzoate
CID 97161564
methyl 4-[(4-nitrophenyl)methoxy]benzoate
CID 802052
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695
methyl 4-[(4-amino-3-methylphenoxy)methyl]benzoate
CID 28942601
methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate
CID 91864413
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-propanoylphenoxy)methyl]benzoate?
The IUPAC name of methyl 4-[(4-propanoylphenoxy)methyl]benzoate (CID 877977) is methyl 4-[(4-propanoylphenoxy)methyl]benzoate.
What is the SMILES notation for methyl 4-[(4-propanoylphenoxy)methyl]benzoate?
The canonical SMILES for methyl 4-[(4-propanoylphenoxy)methyl]benzoate is CCC(=O)c1ccc(OCc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[(4-propanoylphenoxy)methyl]benzoate?
The InChIKey is GZXGEVPIMJVUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-17(19)14-8-10-16(11-9-14)22-12-13-4-6-15(7-5-13)18(20)21-2/h4-11H,3,12H2,1-2H3.
What are the key properties of methyl 4-[(4-propanoylphenoxy)methyl]benzoate?
methyl 4-[(4-propanoylphenoxy)methyl]benzoate has a molecular weight of 298.34 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-propanoylphenoxy)methyl]benzoate is sourced from PubChem (CID 877977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).