(4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate

C19H14O5 — CID 57464622

IUPAC(4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate
SMILESO=C(Oc1ccc(O)cc1)c1ccccc1Oc1ccc(O)cc1
InChIInChI=1S/C19H14O5/c20-13-5-9-15(10-6-13)23-18-4-2-1-3-17(18)19(22)24-16-11-7-14(21)8-12-16/h1-12,20-21H
InChIKeyMOUWXVPFWWOGPN-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.11
Rot. Bonds4

About (4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate

(4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate (PubChem CID 57464622) has the molecular formula C19H14O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is (4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate
PubChem CID57464622
Molecular FormulaC19H14O5
Molecular Weight322.32 g/mol
Exact Mass322.08
IUPAC Name(4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate
SMILESO=C(Oc1ccc(O)cc1)c1ccccc1Oc1ccc(O)cc1
InChIInChI=1S/C19H14O5/c20-13-5-9-15(10-6-13)23-18-4-2-1-3-17(18)19(22)24-16-11-7-14(21)8-12-16/h1-12,20-21H
InChIKeyMOUWXVPFWWOGPN-UHFFFAOYSA-N
XLogP4.11
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-phenoxybenzoate
CID 2471273
(4-acetamidophenyl) 2-phenoxybenzoate
CID 26188165
diphenyl benzene-1,2-dicarboxylate;phenol
CID 174922398
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate
CID 89098058
benzene-1,4-diol;tris(2-hydroxybenzoic acid);phenyl 2-hydroxybenzoate
CID 161221289
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate
CID 54208254
[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
CID 162787179
[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate
CID 579414
bis(4-aminophenyl) benzene-1,2-dicarboxylate
CID 20517221
2-(4-phenoxyphenoxy)benzoate
CID 6946814
benzene-1,3-diol;diphenyl benzene-1,2-dicarboxylate
CID 174808310
(4-phenylphenyl) 2-hydroxybenzoate
CID 19871808

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate?
The IUPAC name of (4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate (CID 57464622) is (4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate.
What is the SMILES notation for (4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate?
The canonical SMILES for (4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate is O=C(Oc1ccc(O)cc1)c1ccccc1Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate?
The InChIKey is MOUWXVPFWWOGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O5/c20-13-5-9-15(10-6-13)23-18-4-2-1-3-17(18)19(22)24-16-11-7-14(21)8-12-16/h1-12,20-21H.
What are the key properties of (4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate?
(4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate has a molecular weight of 322.32 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate is sourced from PubChem (CID 57464622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).