(2-methylphenyl) 2-benzoyloxybenzoate

C21H16O4 — CID 21306244

IUPAC(2-methylphenyl) 2-benzoyloxybenzoate
SMILESCc1ccccc1OC(=O)c1ccccc1OC(=O)c1ccccc1
InChIInChI=1S/C21H16O4/c1-15-9-5-7-13-18(15)24-21(23)17-12-6-8-14-19(17)25-20(22)16-10-3-2-4-11-16/h2-14H,1H3
InChIKeyLVAHRLXBBUZLLN-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.43
Rot. Bonds4

About (2-methylphenyl) 2-benzoyloxybenzoate

(2-methylphenyl) 2-benzoyloxybenzoate (PubChem CID 21306244) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2-methylphenyl) 2-benzoyloxybenzoate.

Molecular Properties

Compound Name(2-methylphenyl) 2-benzoyloxybenzoate
PubChem CID21306244
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name(2-methylphenyl) 2-benzoyloxybenzoate
SMILESCc1ccccc1OC(=O)c1ccccc1OC(=O)c1ccccc1
InChIInChI=1S/C21H16O4/c1-15-9-5-7-13-18(15)24-21(23)17-12-6-8-14-19(17)25-20(22)16-10-3-2-4-11-16/h2-14H,1H3
InChIKeyLVAHRLXBBUZLLN-UHFFFAOYSA-N
XLogP4.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.43
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

(2-methylphenyl) 2-methoxycarbonyloxybenzoate
CID 69024261
1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6424489
(2-methylphenyl) 3-bromobenzoate
CID 530789
(2-methylphenyl) 2,3-dihydroxybenzoate
CID 69026633
2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid
CID 56975164
(2-methylphenyl) 4-ethenylbenzoate
CID 101047505
(2-methylphenyl) benzenecarboperoxoate
CID 20535539
(2-methylphenyl) 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 1217603
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
[2-(1-methoxy-1-oxobut-2-en-2-yl)phenyl] benzoate
CID 57282242
(2-methylphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2457678
(2-methylphenyl) 2-aminofuran-3-carboxylate
CID 117213320

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-benzoyloxybenzoate?
The IUPAC name of (2-methylphenyl) 2-benzoyloxybenzoate (CID 21306244) is (2-methylphenyl) 2-benzoyloxybenzoate.
What is the SMILES notation for (2-methylphenyl) 2-benzoyloxybenzoate?
The canonical SMILES for (2-methylphenyl) 2-benzoyloxybenzoate is Cc1ccccc1OC(=O)c1ccccc1OC(=O)c1ccccc1.
What is the InChIKey of (2-methylphenyl) 2-benzoyloxybenzoate?
The InChIKey is LVAHRLXBBUZLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c1-15-9-5-7-13-18(15)24-21(23)17-12-6-8-14-19(17)25-20(22)16-10-3-2-4-11-16/h2-14H,1H3.
What are the key properties of (2-methylphenyl) 2-benzoyloxybenzoate?
(2-methylphenyl) 2-benzoyloxybenzoate has a molecular weight of 332.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-benzoyloxybenzoate is sourced from PubChem (CID 21306244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).