[4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate

C10H8Cl2O4 — CID 19028303

IUPAC[4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate
SMILESO=C(Cl)OCc1ccc(COC(=O)Cl)cc1
InChIInChI=1S/C10H8Cl2O4/c11-9(13)15-5-7-1-2-8(4-3-7)6-16-10(12)14/h1-4H,5-6H2
InChIKeyVBQATUXYEXRGPT-UHFFFAOYSA-N
MW263.08 g/mol
LogP3.44
Rot. Bonds4

About [4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate

[4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate (PubChem CID 19028303) has the molecular formula C10H8Cl2O4 and a molecular weight of 263.08 g/mol. Its IUPAC name is [4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate.

Molecular Properties

Compound Name[4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate
PubChem CID19028303
Molecular FormulaC10H8Cl2O4
Molecular Weight263.08 g/mol
Exact Mass261.98
IUPAC Name[4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate
SMILESO=C(Cl)OCc1ccc(COC(=O)Cl)cc1
InChIInChI=1S/C10H8Cl2O4/c11-9(13)15-5-7-1-2-8(4-3-7)6-16-10(12)14/h1-4H,5-6H2
InChIKeyVBQATUXYEXRGPT-UHFFFAOYSA-N
XLogP3.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl carbonochloridate
CID 10387
(4-methylsulfonylphenyl)methyl carbonochloridate
CID 87610432
(4-benzoylphenyl)methyl carbonochloridate
CID 10912734
methyl 4-(carbonochloridoyloxymethyl)benzoate
CID 54328192
benzyl carbonochloridate;toluene
CID 86663382
[4-[(2,2-dichloroacetyl)amino]phenyl]methyl carbonochloridate
CID 139035815
[4-(carbonochloridoyloxymethyl)phenyl] 2,2-dimethylpropanoate
CID 59081476
[4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate
CID 87506222
2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate
CID 83820869
(3,5-dimethylphenyl)methyl carbonochloridate
CID 13305535
(4-diethoxyphosphoryloxyphenyl)methyl carbonochloridate
CID 131976846
azetidine-3-carbonyl chloride;benzyl carbonochloridate
CID 175294608

Frequently Asked Questions

What is the IUPAC name of [4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate?
The IUPAC name of [4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate (CID 19028303) is [4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate.
What is the SMILES notation for [4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate?
The canonical SMILES for [4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate is O=C(Cl)OCc1ccc(COC(=O)Cl)cc1.
What is the InChIKey of [4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate?
The InChIKey is VBQATUXYEXRGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O4/c11-9(13)15-5-7-1-2-8(4-3-7)6-16-10(12)14/h1-4H,5-6H2.
What are the key properties of [4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate?
[4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate has a molecular weight of 263.08 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate is sourced from PubChem (CID 19028303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).