[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate

C22H18O5 — CID 166041764

IUPAC[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C22H18O5/c1-15(23)26-20-11-3-16(4-12-20)17-5-13-21(14-6-17)27-22(24)18-7-9-19(25-2)10-8-18/h3-14H,1-2H3
InChIKeyWCMWLUVLROSGQY-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.51
Rot. Bonds5

About [4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate

[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate (PubChem CID 166041764) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is [4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
PubChem CID166041764
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C22H18O5/c1-15(23)26-20-11-3-16(4-12-20)17-5-13-21(14-6-17)27-22(24)18-7-9-19(25-2)10-8-18/h3-14H,1-2H3
InChIKeyWCMWLUVLROSGQY-UHFFFAOYSA-N
XLogP4.51
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.51
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-hydroxybenzoate
CID 143452404
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 7807591
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
[4-(3,4-dihydroxyphenyl)phenyl] 4-methoxybenzoate
CID 122595867
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
CID 19853406
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
ethyl 4-(4-acetyloxyphenyl)benzoate
CID 122206053
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089

Frequently Asked Questions

What is the IUPAC name of [4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate?
The IUPAC name of [4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate (CID 166041764) is [4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate?
The canonical SMILES for [4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(-c3ccc(OC(C)=O)cc3)cc2)cc1.
What is the InChIKey of [4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate?
The InChIKey is WCMWLUVLROSGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-15(23)26-20-11-3-16(4-12-20)17-5-13-21(14-6-17)27-22(24)18-7-9-19(25-2)10-8-18/h3-14H,1-2H3.
What are the key properties of [4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate?
[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate has a molecular weight of 362.38 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate is sourced from PubChem (CID 166041764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).