[3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate

C20H13ClO6 — CID 58982807

IUPAC[3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate
SMILESO=C(Oc1ccc(OC(=O)c2ccc(O)cc2)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C20H13ClO6/c21-17-11-16(26-19(24)12-1-5-14(22)6-2-12)9-10-18(17)27-20(25)13-3-7-15(23)8-4-13/h1-11,22-23H
InChIKeyNYGIYLABUHCDEP-UHFFFAOYSA-N
MW384.77 g/mol
LogP4.19
Rot. Bonds4

About [3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate

[3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate (PubChem CID 58982807) has the molecular formula C20H13ClO6 and a molecular weight of 384.77 g/mol. Its IUPAC name is [3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate
PubChem CID58982807
Molecular FormulaC20H13ClO6
Molecular Weight384.77 g/mol
Exact Mass384.04
IUPAC Name[3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate
SMILESO=C(Oc1ccc(OC(=O)c2ccc(O)cc2)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C20H13ClO6/c21-17-11-16(26-19(24)12-1-5-14(22)6-2-12)9-10-18(17)27-20(25)13-3-7-15(23)8-4-13/h1-11,22-23H
InChIKeyNYGIYLABUHCDEP-UHFFFAOYSA-N
XLogP4.19
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.77
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-4-(4-methoxybenzoyl)oxyphenyl] 4-methoxybenzoate
CID 90331687
(3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate
CID 66793282
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063
(4-methoxyphenyl) 3-chloro-4-(4-methoxybenzoyl)oxybenzoate
CID 118425827
[4-(4-hydroxybenzoyl)oxy-2-methylphenyl] 4-methylbenzoate
CID 54342277
(3-chloro-4-methoxyphenyl) 4-acetylbenzoate
CID 21024683
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
CID 70557557
(4-benzoyloxy-2-methylphenyl) 4-hydroxybenzoate
CID 89390989
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
(4-aminophenyl) 4-[4-(2,4-dichlorophenoxy)carbonylphenyl]benzoate
CID 68526564
(3-benzoyloxy-4-chlorophenyl) benzoate
CID 102086549
[2-chloro-4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxybenzoate
CID 163593004

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate?
The IUPAC name of [3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate (CID 58982807) is [3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate.
What is the SMILES notation for [3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate?
The canonical SMILES for [3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate is O=C(Oc1ccc(OC(=O)c2ccc(O)cc2)c(Cl)c1)c1ccc(O)cc1.
What is the InChIKey of [3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate?
The InChIKey is NYGIYLABUHCDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClO6/c21-17-11-16(26-19(24)12-1-5-14(22)6-2-12)9-10-18(17)27-20(25)13-3-7-15(23)8-4-13/h1-11,22-23H.
What are the key properties of [3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate?
[3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate has a molecular weight of 384.77 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate is sourced from PubChem (CID 58982807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).