(4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate

C8H4Cl2O4 — CID 21396971

IUPAC(4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate
SMILESO=C(Cl)Oc1ccc(C(=O)Cl)c(O)c1
InChIInChI=1S/C8H4Cl2O4/c9-7(12)5-2-1-4(3-6(5)11)14-8(10)13/h1-3,11H
InChIKeyWMGHIUSPCSEELK-UHFFFAOYSA-N
MW235.02 g/mol
LogP2.51
Rot. Bonds2

About (4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate

(4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate (PubChem CID 21396971) has the molecular formula C8H4Cl2O4 and a molecular weight of 235.02 g/mol. Its IUPAC name is (4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate.

Molecular Properties

Compound Name(4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate
PubChem CID21396971
Molecular FormulaC8H4Cl2O4
Molecular Weight235.02 g/mol
Exact Mass233.95
IUPAC Name(4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate
SMILESO=C(Cl)Oc1ccc(C(=O)Cl)c(O)c1
InChIInChI=1S/C8H4Cl2O4/c9-7(12)5-2-1-4(3-6(5)11)14-8(10)13/h1-3,11H
InChIKeyWMGHIUSPCSEELK-UHFFFAOYSA-N
XLogP2.51
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate
CID 23213740
(3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate
CID 21396999
4-carbonochloridoyl-3-hydroxybenzoic acid
CID 21397011
[3-hydroxy-4-(2-methylpropanoyl)phenyl] 2-chloroacetate
CID 162676494
anthracen-2-yl carbonochloridate
CID 88694381
2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid
CID 54530363
4-hydroxy-2-(trifluoromethoxy)benzoyl chloride
CID 134639001
4-hydroxy-2-methylbenzoyl chloride
CID 103689413
[3,4-bis(chloromethyl)phenyl] carbonochloridate
CID 21386911
(4-chloro-3-fluorophenyl) carbonochloridate
CID 82717639
(4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate
CID 163320495
4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid
CID 54434813

Frequently Asked Questions

What is the IUPAC name of (4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate?
The IUPAC name of (4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate (CID 21396971) is (4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate.
What is the SMILES notation for (4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate?
The canonical SMILES for (4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate is O=C(Cl)Oc1ccc(C(=O)Cl)c(O)c1.
What is the InChIKey of (4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate?
The InChIKey is WMGHIUSPCSEELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2O4/c9-7(12)5-2-1-4(3-6(5)11)14-8(10)13/h1-3,11H.
What are the key properties of (4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate?
(4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate has a molecular weight of 235.02 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate is sourced from PubChem (CID 21396971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).