[2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate

C16H14O6 — CID 59101861

IUPAC[2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate
SMILESO=C(Oc1ccccc1C(=O)OCCO)c1ccccc1O
InChIInChI=1S/C16H14O6/c17-9-10-21-15(19)12-6-2-4-8-14(12)22-16(20)11-5-1-3-7-13(11)18/h1-8,17-18H,9-10H2
InChIKeyWEPDMCVYROGBID-UHFFFAOYSA-N
MW302.28 g/mol
LogP1.76
Rot. Bonds5

About [2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate

[2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate (PubChem CID 59101861) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is [2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate
PubChem CID59101861
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name[2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate
SMILESO=C(Oc1ccccc1C(=O)OCCO)c1ccccc1O
InChIInChI=1S/C16H14O6/c17-9-10-21-15(19)12-6-2-4-8-14(12)22-16(20)11-5-1-3-7-13(11)18/h1-8,17-18H,9-10H2
InChIKeyWEPDMCVYROGBID-UHFFFAOYSA-N
XLogP1.76
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 51.76
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

(2-butoxycarbonylphenyl) 2-hydroxybenzoate
CID 59687397
2-hydroxyethyl 2-aminooxybenzoate
CID 21127308
[2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride
CID 168984736
2-fluoroethyl 2-hydroxybenzoate
CID 158044446
sodium 2-(2-hydroxybenzoyl)oxybenzoate
CID 23662396
2-chloroethyl 2-hydroxybenzoate
CID 13052757
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate
CID 69490317
2-(2-hydroxyethoxycarbonyl)benzoate
CID 7034609
2-acetyloxyethyl 2-acetyloxybenzoate
CID 91699041
[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 146469755
2-[2-[2-[2-(2-hydroxybenzoyl)oxyphenyl]acetyl]oxybenzoyl]oxybenzoic acid
CID 123849287

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate?
The IUPAC name of [2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate (CID 59101861) is [2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate is O=C(Oc1ccccc1C(=O)OCCO)c1ccccc1O.
What is the InChIKey of [2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate?
The InChIKey is WEPDMCVYROGBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c17-9-10-21-15(19)12-6-2-4-8-14(12)22-16(20)11-5-1-3-7-13(11)18/h1-8,17-18H,9-10H2.
What are the key properties of [2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate?
[2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate has a molecular weight of 302.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate is sourced from PubChem (CID 59101861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).