(3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate

C26H20O6 — CID 66771976

IUPAC(3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate
SMILESO=C(Oc1cccc(O)c1)c1ccccc1.O=C(Oc1ccccc1)c1ccccc1O
InChIInChI=1S/2C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10;14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h2*1-9,14H
InChIKeyDEJOXIFUZWXSNB-UHFFFAOYSA-N
MW428.44 g/mol
LogP5.22
Rot. Bonds4

About (3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate

(3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate (PubChem CID 66771976) has the molecular formula C26H20O6 and a molecular weight of 428.44 g/mol. Its IUPAC name is (3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate.

Molecular Properties

Compound Name(3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate
PubChem CID66771976
Molecular FormulaC26H20O6
Molecular Weight428.44 g/mol
Exact Mass428.13
IUPAC Name(3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate
SMILESO=C(Oc1cccc(O)c1)c1ccccc1.O=C(Oc1ccccc1)c1ccccc1O
InChIInChI=1S/2C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10;14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h2*1-9,14H
InChIKeyDEJOXIFUZWXSNB-UHFFFAOYSA-N
XLogP5.22
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.22
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

benzene-1,3-diol;diphenyl benzene-1,2-dicarboxylate
CID 174808310
formaldehyde;phenyl 2-hydroxybenzoate
CID 70193884
diphenyl benzene-1,2-dicarboxylate;phenol
CID 174922398
benzene-1,4-diol;tris(2-hydroxybenzoic acid);phenyl 2-hydroxybenzoate
CID 161221289
benzoyl 4-benzoyloxy-2-hydroxybenzoate
CID 150466939
[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury
CID 174770539
(4-phenylphenyl) 2-hydroxybenzoate
CID 19871808
phenyl 5-hydroxynaphthalene-1-carboxylate
CID 19766520
(3-fluorophenyl) 3-hydroxybenzoate
CID 174105662
3-[4-(3-carboxyphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 70550616

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate?
The IUPAC name of (3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate (CID 66771976) is (3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate.
What is the SMILES notation for (3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate?
The canonical SMILES for (3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate is O=C(Oc1cccc(O)c1)c1ccccc1.O=C(Oc1ccccc1)c1ccccc1O.
What is the InChIKey of (3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate?
The InChIKey is DEJOXIFUZWXSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10;14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h2*1-9,14H.
What are the key properties of (3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate?
(3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate has a molecular weight of 428.44 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate is sourced from PubChem (CID 66771976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).