(3,5-dihydroxyphenyl) formate;phenol

C19H18O6 — CID 174915254

IUPAC(3,5-dihydroxyphenyl) formate;phenol
SMILESO=COc1cc(O)cc(O)c1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C7H6O4.2C6H6O/c8-4-11-7-2-5(9)1-6(10)3-7;2*7-6-4-2-1-3-5-6/h1-4,9-10H;2*1-5,7H
InChIKeyMCLMCGIGEWAKHN-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.42
Rot. Bonds2

About (3,5-dihydroxyphenyl) formate;phenol

(3,5-dihydroxyphenyl) formate;phenol (PubChem CID 174915254) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl) formate;phenol.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl) formate;phenol
PubChem CID174915254
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name(3,5-dihydroxyphenyl) formate;phenol
SMILESO=COc1cc(O)cc(O)c1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C7H6O4.2C6H6O/c8-4-11-7-2-5(9)1-6(10)3-7;2*7-6-4-2-1-3-5-6/h1-4,9-10H;2*1-5,7H
InChIKeyMCLMCGIGEWAKHN-UHFFFAOYSA-N
XLogP3.42
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxyphenyl) formate;phenol?
The IUPAC name of (3,5-dihydroxyphenyl) formate;phenol (CID 174915254) is (3,5-dihydroxyphenyl) formate;phenol.
What is the SMILES notation for (3,5-dihydroxyphenyl) formate;phenol?
The canonical SMILES for (3,5-dihydroxyphenyl) formate;phenol is O=COc1cc(O)cc(O)c1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of (3,5-dihydroxyphenyl) formate;phenol?
The InChIKey is MCLMCGIGEWAKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4.2C6H6O/c8-4-11-7-2-5(9)1-6(10)3-7;2*7-6-4-2-1-3-5-6/h1-4,9-10H;2*1-5,7H.
What are the key properties of (3,5-dihydroxyphenyl) formate;phenol?
(3,5-dihydroxyphenyl) formate;phenol has a molecular weight of 342.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl) formate;phenol is sourced from PubChem (CID 174915254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).