benzyl 3-hydroxybenzoate

C14H12O3 — CID 11736317

IUPACbenzyl 3-hydroxybenzoate
SMILESO=C(OCc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C14H12O3/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChIKeyQCLMZTCDRVMSHA-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.75
Rot. Bonds3

About benzyl 3-hydroxybenzoate

benzyl 3-hydroxybenzoate (PubChem CID 11736317) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is benzyl 3-hydroxybenzoate.

Molecular Properties

Compound Namebenzyl 3-hydroxybenzoate
PubChem CID11736317
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Namebenzyl 3-hydroxybenzoate
SMILESO=C(OCc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C14H12O3/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChIKeyQCLMZTCDRVMSHA-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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Related Compounds

benzyl benzoate
CID 2345
(3-methylphenyl)methyl 3-hydroxybenzoate
CID 44587285
3-phenylpropyl 3-hydroxybenzoate
CID 16641326
benzyl 3-aminobenzoate;methanol
CID 142867139
(3-phenylmethoxycarbonylphenyl)boronic acid
CID 2773249
benzyl 3-tert-butylbenzoate
CID 59132221
benzyl 3,4,5-trihydroxybenzoate
CID 16656514
benzyl 3-acetyloxybenzoate
CID 11334719
benzyl 3-chloro-4-hydroxybenzoate
CID 54290465
benzyl acetate;benzyl benzoate
CID 158805672
benzyl benzoate;2-phenylacetic acid
CID 70386781
benzyl 3-tert-butyl-5-hydroxybenzoate
CID 178098727

Frequently Asked Questions

What is the IUPAC name of benzyl 3-hydroxybenzoate?
The IUPAC name of benzyl 3-hydroxybenzoate (CID 11736317) is benzyl 3-hydroxybenzoate.
What is the SMILES notation for benzyl 3-hydroxybenzoate?
The canonical SMILES for benzyl 3-hydroxybenzoate is O=C(OCc1ccccc1)c1cccc(O)c1.
What is the InChIKey of benzyl 3-hydroxybenzoate?
The InChIKey is QCLMZTCDRVMSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h1-9,15H,10H2.
What are the key properties of benzyl 3-hydroxybenzoate?
benzyl 3-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 3-hydroxybenzoate is sourced from PubChem (CID 11736317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).