benzoyl benzoate;benzoyl chloride

C21H15ClO4 — CID 157050310

IUPACbenzoyl benzoate;benzoyl chloride
SMILESO=C(Cl)c1ccccc1.O=C(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O3.C7H5ClO/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h1-10H;1-5H
InChIKeyAACVDJZBDHRDTP-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.75
Rot. Bonds3

About benzoyl benzoate;benzoyl chloride

benzoyl benzoate;benzoyl chloride (PubChem CID 157050310) has the molecular formula C21H15ClO4 and a molecular weight of 366.80 g/mol. Its IUPAC name is benzoyl benzoate;benzoyl chloride.

Molecular Properties

Compound Namebenzoyl benzoate;benzoyl chloride
PubChem CID157050310
Molecular FormulaC21H15ClO4
Molecular Weight366.80 g/mol
Exact Mass366.07
IUPAC Namebenzoyl benzoate;benzoyl chloride
SMILESO=C(Cl)c1ccccc1.O=C(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O3.C7H5ClO/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h1-10H;1-5H
InChIKeyAACVDJZBDHRDTP-UHFFFAOYSA-N
XLogP4.75
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 88758305
benzoyl chloride;chromium;formaldehyde
CID 173282114
benzoic acid;benzoyl chloride
CID 87427055
CID 162308474
CID 162308474
CID 19021053
CID 19021053
benzaldehyde;benzoyl benzoate
CID 160747482
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CID 141440230
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CID 87155251
benzoyl benzoate;N,N-dimethylethanamine
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Frequently Asked Questions

What is the IUPAC name of benzoyl benzoate;benzoyl chloride?
The IUPAC name of benzoyl benzoate;benzoyl chloride (CID 157050310) is benzoyl benzoate;benzoyl chloride.
What is the SMILES notation for benzoyl benzoate;benzoyl chloride?
The canonical SMILES for benzoyl benzoate;benzoyl chloride is O=C(Cl)c1ccccc1.O=C(OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of benzoyl benzoate;benzoyl chloride?
The InChIKey is AACVDJZBDHRDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3.C7H5ClO/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h1-10H;1-5H.
What are the key properties of benzoyl benzoate;benzoyl chloride?
benzoyl benzoate;benzoyl chloride has a molecular weight of 366.80 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl benzoate;benzoyl chloride is sourced from PubChem (CID 157050310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).