(4-benzoylphenyl)methyl carbonochloridate

C15H11ClO3 — CID 10912734

IUPAC(4-benzoylphenyl)methyl carbonochloridate
SMILESO=C(Cl)OCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H11ClO3/c16-15(18)19-10-11-6-8-13(9-7-11)14(17)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyJGUTVEJWVXRKDR-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.79
Rot. Bonds4

About (4-benzoylphenyl)methyl carbonochloridate

(4-benzoylphenyl)methyl carbonochloridate (PubChem CID 10912734) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is (4-benzoylphenyl)methyl carbonochloridate.

Molecular Properties

Compound Name(4-benzoylphenyl)methyl carbonochloridate
PubChem CID10912734
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name(4-benzoylphenyl)methyl carbonochloridate
SMILESO=C(Cl)OCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H11ClO3/c16-15(18)19-10-11-6-8-13(9-7-11)14(17)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyJGUTVEJWVXRKDR-UHFFFAOYSA-N
XLogP3.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl carbonochloridate
CID 10387
[4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate
CID 19028303
[4-(hydroperoxymethyl)phenyl]-phenylmethanone
CID 140726155
(4-benzoylphenyl)methyl 2-methylprop-2-enoate
CID 140797450
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
benzyl carbonochloridate;toluene
CID 86663382
methyl 4-(carbonochloridoyloxymethyl)benzoate
CID 54328192
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635
benzyl benzoate
CID 2345

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl)methyl carbonochloridate?
The IUPAC name of (4-benzoylphenyl)methyl carbonochloridate (CID 10912734) is (4-benzoylphenyl)methyl carbonochloridate.
What is the SMILES notation for (4-benzoylphenyl)methyl carbonochloridate?
The canonical SMILES for (4-benzoylphenyl)methyl carbonochloridate is O=C(Cl)OCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenyl)methyl carbonochloridate?
The InChIKey is JGUTVEJWVXRKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-15(18)19-10-11-6-8-13(9-7-11)14(17)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of (4-benzoylphenyl)methyl carbonochloridate?
(4-benzoylphenyl)methyl carbonochloridate has a molecular weight of 274.70 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl)methyl carbonochloridate is sourced from PubChem (CID 10912734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).