2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate

C24H22O5 — CID 7807591

IUPAC2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate
SMILESCOc1ccc(CCOC(=O)c2ccc(-c3ccc(OC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C24H22O5/c1-17(25)29-23-13-9-20(10-14-23)19-5-7-21(8-6-19)24(26)28-16-15-18-3-11-22(27-2)12-4-18/h3-14H,15-16H2,1-2H3
InChIKeyKKNPNTGSRPIHQN-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.69
Rot. Bonds7

About 2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate

2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate (PubChem CID 7807591) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate
PubChem CID7807591
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Name2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate
SMILESCOc1ccc(CCOC(=O)c2ccc(-c3ccc(OC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C24H22O5/c1-17(25)29-23-13-9-20(10-14-23)19-5-7-21(8-6-19)24(26)28-16-15-18-3-11-22(27-2)12-4-18/h3-14H,15-16H2,1-2H3
InChIKeyKKNPNTGSRPIHQN-UHFFFAOYSA-N
XLogP4.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate
CID 46819126
ethyl 4-(4-acetyloxyphenyl)benzoate
CID 122206053
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
2-(4-chlorophenoxy)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 7807558
[4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate
CID 145097179
6-(4-acetyloxybenzoyl)oxyhexyl 4-acetyloxybenzoate
CID 54565430
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
[4-[2-(4-methylphenoxy)carbonyloxyethyl]phenyl] acetate
CID 122492472
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate
CID 157485537

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate (CID 7807591) is 2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate is COc1ccc(CCOC(=O)c2ccc(-c3ccc(OC(C)=O)cc3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate?
The InChIKey is KKNPNTGSRPIHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-17(25)29-23-13-9-20(10-14-23)19-5-7-21(8-6-19)24(26)28-16-15-18-3-11-22(27-2)12-4-18/h3-14H,15-16H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate?
2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate has a molecular weight of 390.44 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate is sourced from PubChem (CID 7807591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).