(2-chloro-5-hydroxyphenyl) propanoate

C9H9ClO3 — CID 101441480

IUPAC(2-chloro-5-hydroxyphenyl) propanoate
SMILESCCC(=O)Oc1cc(O)ccc1Cl
InChIInChI=1S/C9H9ClO3/c1-2-9(12)13-8-5-6(11)3-4-7(8)10/h3-5,11H,2H2,1H3
InChIKeyCGXTVMIZAAQAKR-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.36
Rot. Bonds2

About (2-chloro-5-hydroxyphenyl) propanoate

(2-chloro-5-hydroxyphenyl) propanoate (PubChem CID 101441480) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is (2-chloro-5-hydroxyphenyl) propanoate.

Molecular Properties

Compound Name(2-chloro-5-hydroxyphenyl) propanoate
PubChem CID101441480
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name(2-chloro-5-hydroxyphenyl) propanoate
SMILESCCC(=O)Oc1cc(O)ccc1Cl
InChIInChI=1S/C9H9ClO3/c1-2-9(12)13-8-5-6(11)3-4-7(8)10/h3-5,11H,2H2,1H3
InChIKeyCGXTVMIZAAQAKR-UHFFFAOYSA-N
XLogP2.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.36
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

(2-chloro-5-methoxyphenyl) propanoate
CID 91527041
(5-chloro-2-methylphenyl) propanoate
CID 131155608
(2-chloro-5-methylphenyl) pentanoate
CID 78780315
bis(2-chloro-5-methylphenyl) hexanedioate
CID 91704940
4-O-(2-chloro-5-methylphenyl) 1-O-methyl butanedioate
CID 94271897
(2,5-dichlorophenyl) 2-ethylbutanoate
CID 91695920
(2,4,5-trichlorophenyl) 2-(4-hydroxyphenyl)acetate
CID 15608392
6-O-(2-chloro-5-methylphenyl) 1-O-ethyl hexanedioate
CID 91704853
(2-ethoxy-4-hydroxyphenyl) propaneperoxoate
CID 18473891
(2-chloro-5-ethylphenyl) acetate
CID 142057542
(2-chloro-5-methoxyphenyl) 3-chloropropanoate
CID 69127874
(4-ethyl-2-propanoyloxyphenyl) propanoate
CID 90024003

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-hydroxyphenyl) propanoate?
The IUPAC name of (2-chloro-5-hydroxyphenyl) propanoate (CID 101441480) is (2-chloro-5-hydroxyphenyl) propanoate.
What is the SMILES notation for (2-chloro-5-hydroxyphenyl) propanoate?
The canonical SMILES for (2-chloro-5-hydroxyphenyl) propanoate is CCC(=O)Oc1cc(O)ccc1Cl.
What is the InChIKey of (2-chloro-5-hydroxyphenyl) propanoate?
The InChIKey is CGXTVMIZAAQAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-2-9(12)13-8-5-6(11)3-4-7(8)10/h3-5,11H,2H2,1H3.
What are the key properties of (2-chloro-5-hydroxyphenyl) propanoate?
(2-chloro-5-hydroxyphenyl) propanoate has a molecular weight of 200.62 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-hydroxyphenyl) propanoate is sourced from PubChem (CID 101441480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).