(4-benzoylphenyl) 2-methoxybenzoate

C21H16O4 — CID 1234638

IUPAC(4-benzoylphenyl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H16O4/c1-24-19-10-6-5-9-18(19)21(23)25-17-13-11-16(12-14-17)20(22)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyULVZJQUSCUXTCS-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.15
Rot. Bonds5

About (4-benzoylphenyl) 2-methoxybenzoate

(4-benzoylphenyl) 2-methoxybenzoate (PubChem CID 1234638) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (4-benzoylphenyl) 2-methoxybenzoate.

Molecular Properties

Compound Name(4-benzoylphenyl) 2-methoxybenzoate
PubChem CID1234638
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name(4-benzoylphenyl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H16O4/c1-24-19-10-6-5-9-18(19)21(23)25-17-13-11-16(12-14-17)20(22)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyULVZJQUSCUXTCS-UHFFFAOYSA-N
XLogP4.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-benzoylphenyl) 2,3,4-trimethoxybenzoate
CID 9095487
(4-benzoylphenyl) 2-ethoxybenzoate
CID 1234623
(4-benzoylphenyl) 3,4,5-trimethoxybenzoate
CID 2678942
[4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 139968498
(4-naphthalen-2-ylphenyl) 2-methoxybenzoate
CID 158131394
(4-butan-2-ylphenyl) 2-methoxybenzoate
CID 23011207
2-methoxybenzoic acid;phenyl hydrogen carbonate
CID 66629291
methyl 4-(2-methoxybenzoyl)benzoate
CID 22408243
(4-benzoylphenyl) 2-methylfuran-3-carboxylate
CID 9115841
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925475
bis(4-phenyldiazenylphenyl) 4-methoxybenzene-1,3-dicarboxylate
CID 175261100
[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
CID 11841339

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl) 2-methoxybenzoate?
The IUPAC name of (4-benzoylphenyl) 2-methoxybenzoate (CID 1234638) is (4-benzoylphenyl) 2-methoxybenzoate.
What is the SMILES notation for (4-benzoylphenyl) 2-methoxybenzoate?
The canonical SMILES for (4-benzoylphenyl) 2-methoxybenzoate is COc1ccccc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenyl) 2-methoxybenzoate?
The InChIKey is ULVZJQUSCUXTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c1-24-19-10-6-5-9-18(19)21(23)25-17-13-11-16(12-14-17)20(22)15-7-3-2-4-8-15/h2-14H,1H3.
What are the key properties of (4-benzoylphenyl) 2-methoxybenzoate?
(4-benzoylphenyl) 2-methoxybenzoate has a molecular weight of 332.36 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl) 2-methoxybenzoate is sourced from PubChem (CID 1234638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).