benzyl 2-hydroxy-5-iodobenzoate

C14H11IO3 — CID 10760569

IUPACbenzyl 2-hydroxy-5-iodobenzoate
SMILESO=C(OCc1ccccc1)c1cc(I)ccc1O
InChIInChI=1S/C14H11IO3/c15-11-6-7-13(16)12(8-11)14(17)18-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeySYPYCOBZYRYNPS-UHFFFAOYSA-N
MW354.14 g/mol
LogP3.35
Rot. Bonds3

About benzyl 2-hydroxy-5-iodobenzoate

benzyl 2-hydroxy-5-iodobenzoate (PubChem CID 10760569) has the molecular formula C14H11IO3 and a molecular weight of 354.14 g/mol. Its IUPAC name is benzyl 2-hydroxy-5-iodobenzoate.

Molecular Properties

Compound Namebenzyl 2-hydroxy-5-iodobenzoate
PubChem CID10760569
Molecular FormulaC14H11IO3
Molecular Weight354.14 g/mol
Exact Mass353.98
IUPAC Namebenzyl 2-hydroxy-5-iodobenzoate
SMILESO=C(OCc1ccccc1)c1cc(I)ccc1O
InChIInChI=1S/C14H11IO3/c15-11-6-7-13(16)12(8-11)14(17)18-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeySYPYCOBZYRYNPS-UHFFFAOYSA-N
XLogP3.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.14
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-bromo-5-iodobenzoate
CID 59166567
benzyl 2-ethoxy-4-iodobenzoate
CID 154376302
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298
5-hydroxy-2-phenylmethoxycarbonylbenzoic acid
CID 70424833
benzyl 5-(2-azidoacetyl)-2-hydroxybenzoate
CID 141013220
(3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate
CID 7786444
benzyl 3,4,5-trihydroxybenzoate
CID 16656514
benzyl 4-iodonaphthalene-1-carboxylate
CID 138644772
[4-(benzenesulfonyl)phenyl]methyl 5-bromo-2-hydroxybenzoate
CID 1307574
2-phenylethyl 2-amino-5-iodobenzoate
CID 44829093
benzyl 6-iodo-1-benzothiophene-2-carboxylate
CID 155152793
tribenzyl 5-aminobenzene-1,2,3-tricarboxylate
CID 166736546

Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxy-5-iodobenzoate?
The IUPAC name of benzyl 2-hydroxy-5-iodobenzoate (CID 10760569) is benzyl 2-hydroxy-5-iodobenzoate.
What is the SMILES notation for benzyl 2-hydroxy-5-iodobenzoate?
The canonical SMILES for benzyl 2-hydroxy-5-iodobenzoate is O=C(OCc1ccccc1)c1cc(I)ccc1O.
What is the InChIKey of benzyl 2-hydroxy-5-iodobenzoate?
The InChIKey is SYPYCOBZYRYNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO3/c15-11-6-7-13(16)12(8-11)14(17)18-9-10-4-2-1-3-5-10/h1-8,16H,9H2.
What are the key properties of benzyl 2-hydroxy-5-iodobenzoate?
benzyl 2-hydroxy-5-iodobenzoate has a molecular weight of 354.14 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxy-5-iodobenzoate is sourced from PubChem (CID 10760569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).