(5-carbonochloridoyl-2-methoxyphenyl) acetate

C10H9ClO4 — CID 18536926

IUPAC(5-carbonochloridoyl-2-methoxyphenyl) acetate
SMILESCOc1ccc(C(=O)Cl)cc1OC(C)=O
InChIInChI=1S/C10H9ClO4/c1-6(12)15-9-5-7(10(11)13)3-4-8(9)14-2/h3-5H,1-2H3
InChIKeyWDJHJCFUJVLBCM-UHFFFAOYSA-N
MW228.63 g/mol
LogP2.00
Rot. Bonds3

About (5-carbonochloridoyl-2-methoxyphenyl) acetate

(5-carbonochloridoyl-2-methoxyphenyl) acetate (PubChem CID 18536926) has the molecular formula C10H9ClO4 and a molecular weight of 228.63 g/mol. Its IUPAC name is (5-carbonochloridoyl-2-methoxyphenyl) acetate.

Molecular Properties

Compound Name(5-carbonochloridoyl-2-methoxyphenyl) acetate
PubChem CID18536926
Molecular FormulaC10H9ClO4
Molecular Weight228.63 g/mol
Exact Mass228.02
IUPAC Name(5-carbonochloridoyl-2-methoxyphenyl) acetate
SMILESCOc1ccc(C(=O)Cl)cc1OC(C)=O
InChIInChI=1S/C10H9ClO4/c1-6(12)15-9-5-7(10(11)13)3-4-8(9)14-2/h3-5H,1-2H3
InChIKeyWDJHJCFUJVLBCM-UHFFFAOYSA-N
XLogP2.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(4-carbonochloridoyl-2-methylphenyl) acetate
CID 88906755
[2-acetyloxy-4-[2,2-dichloro-1-(3,4-diacetyloxyphenyl)ethenyl]phenyl] acetate
CID 20539881
3-butoxy-4-methoxybenzoyl chloride
CID 15733507
4-methoxy-3-pentan-3-yloxybenzoyl chloride
CID 21187835
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521
butan-1-amine;3,4-dimethoxybenzoyl chloride
CID 159626817
2-(3,4-dimethoxyphenyl)-2-oxoacetyl chloride
CID 141177100
(3-acetyloxy-4-methoxyphenyl)boronic acid
CID 119084154
4-cyano-3-methoxybenzoyl chloride
CID 45081742
[4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate
CID 54123308
(4-chloro-2-methoxyphenyl) acetate
CID 45073631
[4-carbonochloridoyl-2-(3-methylbutyl)phenyl] acetate
CID 154084815

Frequently Asked Questions

What is the IUPAC name of (5-carbonochloridoyl-2-methoxyphenyl) acetate?
The IUPAC name of (5-carbonochloridoyl-2-methoxyphenyl) acetate (CID 18536926) is (5-carbonochloridoyl-2-methoxyphenyl) acetate.
What is the SMILES notation for (5-carbonochloridoyl-2-methoxyphenyl) acetate?
The canonical SMILES for (5-carbonochloridoyl-2-methoxyphenyl) acetate is COc1ccc(C(=O)Cl)cc1OC(C)=O.
What is the InChIKey of (5-carbonochloridoyl-2-methoxyphenyl) acetate?
The InChIKey is WDJHJCFUJVLBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO4/c1-6(12)15-9-5-7(10(11)13)3-4-8(9)14-2/h3-5H,1-2H3.
What are the key properties of (5-carbonochloridoyl-2-methoxyphenyl) acetate?
(5-carbonochloridoyl-2-methoxyphenyl) acetate has a molecular weight of 228.63 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carbonochloridoyl-2-methoxyphenyl) acetate is sourced from PubChem (CID 18536926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).