(4-chloro-3-hydroxyphenyl) acetate

C8H7ClO3 — CID 11052361

IUPAC(4-chloro-3-hydroxyphenyl) acetate
SMILESCC(=O)Oc1ccc(Cl)c(O)c1
InChIInChI=1S/C8H7ClO3/c1-5(10)12-6-2-3-7(9)8(11)4-6/h2-4,11H,1H3
InChIKeyBJICRKFAZNKDCJ-UHFFFAOYSA-N
MW186.59 g/mol
LogP1.97
Rot. Bonds1

About (4-chloro-3-hydroxyphenyl) acetate

(4-chloro-3-hydroxyphenyl) acetate (PubChem CID 11052361) has the molecular formula C8H7ClO3 and a molecular weight of 186.59 g/mol. Its IUPAC name is (4-chloro-3-hydroxyphenyl) acetate.

Molecular Properties

Compound Name(4-chloro-3-hydroxyphenyl) acetate
PubChem CID11052361
Molecular FormulaC8H7ClO3
Molecular Weight186.59 g/mol
Exact Mass186.01
IUPAC Name(4-chloro-3-hydroxyphenyl) acetate
SMILESCC(=O)Oc1ccc(Cl)c(O)c1
InChIInChI=1S/C8H7ClO3/c1-5(10)12-6-2-3-7(9)8(11)4-6/h2-4,11H,1H3
InChIKeyBJICRKFAZNKDCJ-UHFFFAOYSA-N
XLogP1.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate
CID 57324725
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
[4-(3,4-dichlorobenzoyl)phenyl] acetate
CID 24723041
(4-ethenyl-3-hydroxyphenyl) acetate
CID 130034523
(4-chlorophenyl) acetate
CID 13410
(6-hydroxyanthracen-2-yl) acetate
CID 58800514
acetic acid;(4-formyl-3-hydroxyphenyl) acetate
CID 87581863
(3-chloro-1H-indol-5-yl) acetate
CID 174442875
2-chloro-5-(4-methylphenoxy)phenol
CID 70825108
(4-hydroxy-3-propylphenyl) acetate
CID 151790700
(3-acetyloxy-4-methylphenyl) acetate;4-methylbenzene-1,3-diol
CID 157361976
[4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate
CID 123825546

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-hydroxyphenyl) acetate?
The IUPAC name of (4-chloro-3-hydroxyphenyl) acetate (CID 11052361) is (4-chloro-3-hydroxyphenyl) acetate.
What is the SMILES notation for (4-chloro-3-hydroxyphenyl) acetate?
The canonical SMILES for (4-chloro-3-hydroxyphenyl) acetate is CC(=O)Oc1ccc(Cl)c(O)c1.
What is the InChIKey of (4-chloro-3-hydroxyphenyl) acetate?
The InChIKey is BJICRKFAZNKDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3/c1-5(10)12-6-2-3-7(9)8(11)4-6/h2-4,11H,1H3.
What are the key properties of (4-chloro-3-hydroxyphenyl) acetate?
(4-chloro-3-hydroxyphenyl) acetate has a molecular weight of 186.59 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-hydroxyphenyl) acetate is sourced from PubChem (CID 11052361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).