benzyl 4-hydroxybenzoate

C14H12O3 — CID 7180

IUPACbenzyl 4-hydroxybenzoate
SMILESO=C(OCc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyMOZDKDIOPSPTBH-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.75
Rot. Bonds3

About benzyl 4-hydroxybenzoate

benzyl 4-hydroxybenzoate (PubChem CID 7180) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is benzyl 4-hydroxybenzoate.

Molecular Properties

Compound Namebenzyl 4-hydroxybenzoate
PubChem CID7180
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Namebenzyl 4-hydroxybenzoate
SMILESO=C(OCc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyMOZDKDIOPSPTBH-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

4-Hydroxybenzoic Acid
CID 135
Methylparaben
CID 7456
Propylparaben
CID 7175
Butylparaben
CID 7184
Ethylparaben
CID 8434
Benzyl Salicylate
CID 8363
Ethyl Salicylate
CID 8365
Heptyl p-hydroxybenzoate
CID 14138
Butyl salicylate
CID 16330
4,4'-Dihydroxybenzophenone
CID 69150
Methyl anisate
CID 8499
4-Methoxybenzoic Acid
CID 7478

Frequently Asked Questions

What is the IUPAC name of benzyl 4-hydroxybenzoate?
The IUPAC name of benzyl 4-hydroxybenzoate (CID 7180) is benzyl 4-hydroxybenzoate.
What is the SMILES notation for benzyl 4-hydroxybenzoate?
The canonical SMILES for benzyl 4-hydroxybenzoate is O=C(OCc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of benzyl 4-hydroxybenzoate?
The InChIKey is MOZDKDIOPSPTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2.
What are the key properties of benzyl 4-hydroxybenzoate?
benzyl 4-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 4-hydroxybenzoate is sourced from PubChem (CID 7180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).