(4-carbonochloridoyl-2-methylphenyl) acetate

C10H9ClO3 — CID 88906755

IUPAC(4-carbonochloridoyl-2-methylphenyl) acetate
SMILESCC(=O)Oc1ccc(C(=O)Cl)cc1C
InChIInChI=1S/C10H9ClO3/c1-6-5-8(10(11)13)3-4-9(6)14-7(2)12/h3-5H,1-2H3
InChIKeyNCALURFJJAMHFY-UHFFFAOYSA-N
MW212.63 g/mol
LogP2.30
Rot. Bonds2

About (4-carbonochloridoyl-2-methylphenyl) acetate

(4-carbonochloridoyl-2-methylphenyl) acetate (PubChem CID 88906755) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is (4-carbonochloridoyl-2-methylphenyl) acetate.

Molecular Properties

Compound Name(4-carbonochloridoyl-2-methylphenyl) acetate
PubChem CID88906755
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name(4-carbonochloridoyl-2-methylphenyl) acetate
SMILESCC(=O)Oc1ccc(C(=O)Cl)cc1C
InChIInChI=1S/C10H9ClO3/c1-6-5-8(10(11)13)3-4-9(6)14-7(2)12/h3-5H,1-2H3
InChIKeyNCALURFJJAMHFY-UHFFFAOYSA-N
XLogP2.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-carbonochloridoyl-2-methoxyphenyl) acetate
CID 18536926
(2-acetyloxy-5-carbonochloridoyl-3-methylphenyl) acetate
CID 118229923
trimethylsilyl 4-acetyloxy-3-methylbenzoate
CID 91734163
[2-acetyloxy-4-[2,2-dichloro-1-(3,4-diacetyloxyphenyl)ethenyl]phenyl] acetate
CID 20539881
3,4-dimethylbenzoyl chloride;methane
CID 155746404
[4-carbonochloridoyl-2-(3-methylbutyl)phenyl] acetate
CID 154084815
3-methyl-4-phenylmethoxybenzoyl chloride
CID 18995347
(4-carbonochloridoylphenyl) acetate
CID 2756254
methyl 4-carbonochloridoyl-2-methylbenzoate
CID 141487555
[4-(4-methoxy-3-methylphenyl)sulfinyl-2-methylphenyl] acetate
CID 89408252
(2-methyl-4-thiophen-2-ylphenyl) acetate
CID 174371049
[4-[(4-acetyloxy-3-methylphenyl)-(3,4-dichlorophenyl)methyl]-2-methylphenyl] acetate
CID 110175364

Frequently Asked Questions

What is the IUPAC name of (4-carbonochloridoyl-2-methylphenyl) acetate?
The IUPAC name of (4-carbonochloridoyl-2-methylphenyl) acetate (CID 88906755) is (4-carbonochloridoyl-2-methylphenyl) acetate.
What is the SMILES notation for (4-carbonochloridoyl-2-methylphenyl) acetate?
The canonical SMILES for (4-carbonochloridoyl-2-methylphenyl) acetate is CC(=O)Oc1ccc(C(=O)Cl)cc1C.
What is the InChIKey of (4-carbonochloridoyl-2-methylphenyl) acetate?
The InChIKey is NCALURFJJAMHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c1-6-5-8(10(11)13)3-4-9(6)14-7(2)12/h3-5H,1-2H3.
What are the key properties of (4-carbonochloridoyl-2-methylphenyl) acetate?
(4-carbonochloridoyl-2-methylphenyl) acetate has a molecular weight of 212.63 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbonochloridoyl-2-methylphenyl) acetate is sourced from PubChem (CID 88906755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).