1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate

C15H13ClO4 — CID 174499902

IUPAC1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate
SMILESCC(OC(=O)c1ccc(O)cc1)Oc1ccccc1Cl
InChIInChI=1S/C15H13ClO4/c1-10(19-14-5-3-2-4-13(14)16)20-15(18)11-6-8-12(17)9-7-11/h2-10,17H,1H3
InChIKeyFFQOBOSSYZZACY-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.63
Rot. Bonds4

About 1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate

1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate (PubChem CID 174499902) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate
PubChem CID174499902
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate
SMILESCC(OC(=O)c1ccc(O)cc1)Oc1ccccc1Cl
InChIInChI=1S/C15H13ClO4/c1-10(19-14-5-3-2-4-13(14)16)20-15(18)11-6-8-12(17)9-7-11/h2-10,17H,1H3
InChIKeyFFQOBOSSYZZACY-UHFFFAOYSA-N
XLogP3.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-benzoyloxyethyl 4-hydroxybenzoate
CID 22257585
[(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 7209531
(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 891501
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
1-fluoroethyl 4-hydroxybenzoate
CID 175530732
1-(2-chlorophenoxy)ethanethiol
CID 147588927
2-(2-chlorophenoxy)propanedioate
CID 19095840
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
(2-chlorophenyl) 4-ethylbenzoate
CID 583746
2-(2-chlorophenoxy)pentan-3-one
CID 64866523
1-(4-methylphenoxy)ethyl 4-methylbenzoate
CID 159036002

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate?
The IUPAC name of 1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate (CID 174499902) is 1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate.
What is the SMILES notation for 1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate?
The canonical SMILES for 1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate is CC(OC(=O)c1ccc(O)cc1)Oc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate?
The InChIKey is FFQOBOSSYZZACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-10(19-14-5-3-2-4-13(14)16)20-15(18)11-6-8-12(17)9-7-11/h2-10,17H,1H3.
What are the key properties of 1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate?
1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate has a molecular weight of 292.72 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate is sourced from PubChem (CID 174499902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).