phenyl 2-(1,2-dihydroxyethoxy)benzoate

C15H14O5 — CID 19438474

IUPACphenyl 2-(1,2-dihydroxyethoxy)benzoate
SMILESO=C(Oc1ccccc1)c1ccccc1OC(O)CO
InChIInChI=1S/C15H14O5/c16-10-14(17)20-13-9-5-4-8-12(13)15(18)19-11-6-2-1-3-7-11/h1-9,14,16-17H,10H2
InChIKeyMHUWZNKGSXQFGY-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.60
Rot. Bonds5

About phenyl 2-(1,2-dihydroxyethoxy)benzoate

phenyl 2-(1,2-dihydroxyethoxy)benzoate (PubChem CID 19438474) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is phenyl 2-(1,2-dihydroxyethoxy)benzoate.

Molecular Properties

Compound Namephenyl 2-(1,2-dihydroxyethoxy)benzoate
PubChem CID19438474
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Namephenyl 2-(1,2-dihydroxyethoxy)benzoate
SMILESO=C(Oc1ccccc1)c1ccccc1OC(O)CO
InChIInChI=1S/C15H14O5/c16-10-14(17)20-13-9-5-4-8-12(13)15(18)19-11-6-2-1-3-7-11/h1-9,14,16-17H,10H2
InChIKeyMHUWZNKGSXQFGY-UHFFFAOYSA-N
XLogP1.60
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-(1-hydroxypropoxy)benzoate
CID 70565841
phenyl 2-phenoxybenzoate
CID 2471273
diphenyl benzene-1,2-dicarboxylate;trihydroxy(methyl)phosphanium
CID 158752634
phenyl 2-butanoyloxybenzoate
CID 174960462
phenyl 2-(2-oxoethoxy)benzoate
CID 54027293
phenyl 2-prop-2-enoyloxybenzoate
CID 10858474
(4-methoxyphenyl) 2-(difluoromethoxy)benzoate
CID 55341813
diphenyl benzene-1,2-dicarboxylate;phenol
CID 174922398
phenyl 2-iodobenzoate
CID 11416063
formaldehyde;phenyl 2-hydroxybenzoate
CID 70193884
phenyl 2-acetylbenzoate
CID 102060857
phenyl 2-(chloromethyl)benzoate
CID 19609280

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(1,2-dihydroxyethoxy)benzoate?
The IUPAC name of phenyl 2-(1,2-dihydroxyethoxy)benzoate (CID 19438474) is phenyl 2-(1,2-dihydroxyethoxy)benzoate.
What is the SMILES notation for phenyl 2-(1,2-dihydroxyethoxy)benzoate?
The canonical SMILES for phenyl 2-(1,2-dihydroxyethoxy)benzoate is O=C(Oc1ccccc1)c1ccccc1OC(O)CO.
What is the InChIKey of phenyl 2-(1,2-dihydroxyethoxy)benzoate?
The InChIKey is MHUWZNKGSXQFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c16-10-14(17)20-13-9-5-4-8-12(13)15(18)19-11-6-2-1-3-7-11/h1-9,14,16-17H,10H2.
What are the key properties of phenyl 2-(1,2-dihydroxyethoxy)benzoate?
phenyl 2-(1,2-dihydroxyethoxy)benzoate has a molecular weight of 274.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(1,2-dihydroxyethoxy)benzoate is sourced from PubChem (CID 19438474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).