benzyl 2-hydroxybenzoate

C14H12O3 — CID 8363

IUPACbenzyl 2-hydroxybenzoate
SMILESO=C(OCc1ccccc1)c1ccccc1O
InChIInChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyZCTQGTTXIYCGGC-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.75
Rot. Bonds3

About benzyl 2-hydroxybenzoate

benzyl 2-hydroxybenzoate (PubChem CID 8363) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is benzyl 2-hydroxybenzoate.

Molecular Properties

Compound Namebenzyl 2-hydroxybenzoate
PubChem CID8363
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Namebenzyl 2-hydroxybenzoate
SMILESO=C(OCc1ccccc1)c1ccccc1O
InChIInChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyZCTQGTTXIYCGGC-UHFFFAOYSA-N
XLogP2.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxybenzoate?
The IUPAC name of benzyl 2-hydroxybenzoate (CID 8363) is benzyl 2-hydroxybenzoate.
What is the SMILES notation for benzyl 2-hydroxybenzoate?
The canonical SMILES for benzyl 2-hydroxybenzoate is O=C(OCc1ccccc1)c1ccccc1O.
What is the InChIKey of benzyl 2-hydroxybenzoate?
The InChIKey is ZCTQGTTXIYCGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2.
What are the key properties of benzyl 2-hydroxybenzoate?
benzyl 2-hydroxybenzoate has a molecular weight of 228.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxybenzoate is sourced from PubChem (CID 8363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).