(4-methoxybenzoyl)oxymethyl 4-methylbenzoate

C17H16O5 — CID 134487475

IUPAC(4-methoxybenzoyl)oxymethyl 4-methylbenzoate
SMILESCOc1ccc(C(=O)OCOC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16O5/c1-12-3-5-13(6-4-12)16(18)21-11-22-17(19)14-7-9-15(20-2)10-8-14/h3-10H,11H2,1-2H3
InChIKeyOJVKKUGVHAANES-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.97
Rot. Bonds5

About (4-methoxybenzoyl)oxymethyl 4-methylbenzoate

(4-methoxybenzoyl)oxymethyl 4-methylbenzoate (PubChem CID 134487475) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is (4-methoxybenzoyl)oxymethyl 4-methylbenzoate.

Molecular Properties

Compound Name(4-methoxybenzoyl)oxymethyl 4-methylbenzoate
PubChem CID134487475
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name(4-methoxybenzoyl)oxymethyl 4-methylbenzoate
SMILESCOc1ccc(C(=O)OCOC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16O5/c1-12-3-5-13(6-4-12)16(18)21-11-22-17(19)14-7-9-15(20-2)10-8-14/h3-10H,11H2,1-2H3
InChIKeyOJVKKUGVHAANES-UHFFFAOYSA-N
XLogP2.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)methoxymethyl 4-methylbenzoate
CID 15498572
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
2-methylpropanoyloxymethyl 4-methylbenzoate
CID 153349811
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919
(4-methylphenoxy)methyl benzoate
CID 10444404
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23993413

Frequently Asked Questions

What is the IUPAC name of (4-methoxybenzoyl)oxymethyl 4-methylbenzoate?
The IUPAC name of (4-methoxybenzoyl)oxymethyl 4-methylbenzoate (CID 134487475) is (4-methoxybenzoyl)oxymethyl 4-methylbenzoate.
What is the SMILES notation for (4-methoxybenzoyl)oxymethyl 4-methylbenzoate?
The canonical SMILES for (4-methoxybenzoyl)oxymethyl 4-methylbenzoate is COc1ccc(C(=O)OCOC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (4-methoxybenzoyl)oxymethyl 4-methylbenzoate?
The InChIKey is OJVKKUGVHAANES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-12-3-5-13(6-4-12)16(18)21-11-22-17(19)14-7-9-15(20-2)10-8-14/h3-10H,11H2,1-2H3.
What are the key properties of (4-methoxybenzoyl)oxymethyl 4-methylbenzoate?
(4-methoxybenzoyl)oxymethyl 4-methylbenzoate has a molecular weight of 300.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxybenzoyl)oxymethyl 4-methylbenzoate is sourced from PubChem (CID 134487475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).