(3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate

C13H9ClO4 — CID 66793282

IUPAC(3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate
SMILESO=C(Oc1ccc(O)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C13H9ClO4/c14-11-7-10(5-6-12(11)16)18-13(17)8-1-3-9(15)4-2-8/h1-7,15-16H
InChIKeyXYESIBXSQWUPNA-UHFFFAOYSA-N
MW264.66 g/mol
LogP2.97
Rot. Bonds2

About (3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate

(3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate (PubChem CID 66793282) has the molecular formula C13H9ClO4 and a molecular weight of 264.66 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate
PubChem CID66793282
Molecular FormulaC13H9ClO4
Molecular Weight264.66 g/mol
Exact Mass264.02
IUPAC Name(3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate
SMILESO=C(Oc1ccc(O)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C13H9ClO4/c14-11-7-10(5-6-12(11)16)18-13(17)8-1-3-9(15)4-2-8/h1-7,15-16H
InChIKeyXYESIBXSQWUPNA-UHFFFAOYSA-N
XLogP2.97
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate
CID 58982807
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
CID 70557557
(4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate
CID 66793522
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327
[6,10-bis[(3-chloro-4-hydroxybenzoyl)oxy]anthracen-2-yl] 3-chloro-4-hydroxybenzoate
CID 22903142
(4-amino-3-chlorophenyl) 4-aminobenzoate
CID 23318660
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
[3-chloro-4-(4-methoxybenzoyl)oxyphenyl] 4-methoxybenzoate
CID 90331687
(4-dodecoxycarbonylphenyl) 3-chloro-4-hydroxybenzoate
CID 19824457
[4-[3-chloro-4-[4-(4-hydroxybenzoyl)oxyphenyl]phenoxy]carbonylphenyl] 2,4,5-trimethoxybenzoate
CID 89329551
[3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate
CID 57324725

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate?
The IUPAC name of (3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate (CID 66793282) is (3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate?
The canonical SMILES for (3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate is O=C(Oc1ccc(O)c(Cl)c1)c1ccc(O)cc1.
What is the InChIKey of (3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate?
The InChIKey is XYESIBXSQWUPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO4/c14-11-7-10(5-6-12(11)16)18-13(17)8-1-3-9(15)4-2-8/h1-7,15-16H.
What are the key properties of (3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate?
(3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate has a molecular weight of 264.66 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate is sourced from PubChem (CID 66793282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).