[2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate

C18H18O7 — CID 89282458

IUPAC[2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate
SMILESCCOCC(OC(=O)c1ccc(O)cc1)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H18O7/c1-2-23-11-16(24-17(21)12-3-7-14(19)8-4-12)25-18(22)13-5-9-15(20)10-6-13/h3-10,16,19-20H,2,11H2,1H3
InChIKeyCNGAKUJKQLNSSP-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.47
Rot. Bonds7

About [2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate

[2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate (PubChem CID 89282458) has the molecular formula C18H18O7 and a molecular weight of 346.34 g/mol. Its IUPAC name is [2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate
PubChem CID89282458
Molecular FormulaC18H18O7
Molecular Weight346.34 g/mol
Exact Mass346.11
IUPAC Name[2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate
SMILESCCOCC(OC(=O)c1ccc(O)cc1)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H18O7/c1-2-23-11-16(24-17(21)12-3-7-14(19)8-4-12)25-18(22)13-5-9-15(20)10-6-13/h3-10,16,19-20H,2,11H2,1H3
InChIKeyCNGAKUJKQLNSSP-UHFFFAOYSA-N
XLogP2.47
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
CID 86171839
1-hydroxybutan-2-yl 4-hydroxybenzoate
CID 175013058
1-decoxypropyl 4-hydroxybenzoate
CID 175044009
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
1-pentoxypropan-2-yl 4-hydroxybenzoate
CID 14512064
1-fluoroethyl 4-hydroxybenzoate
CID 175530732
2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate
CID 70155942
1-benzoyloxyethyl 4-hydroxybenzoate
CID 22257585
ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
CID 162068565
ethyl 4-hydroxybenzoate;propane-1,2,3-triol
CID 158935793
1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate
CID 103489205

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate?
The IUPAC name of [2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate (CID 89282458) is [2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate is CCOCC(OC(=O)c1ccc(O)cc1)OC(=O)c1ccc(O)cc1.
What is the InChIKey of [2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate?
The InChIKey is CNGAKUJKQLNSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O7/c1-2-23-11-16(24-17(21)12-3-7-14(19)8-4-12)25-18(22)13-5-9-15(20)10-6-13/h3-10,16,19-20H,2,11H2,1H3.
What are the key properties of [2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate?
[2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate has a molecular weight of 346.34 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate is sourced from PubChem (CID 89282458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).