iodo 2-naphthalen-2-ylacetate

C12H9IO2 — CID 129274840

IUPACiodo 2-naphthalen-2-ylacetate
SMILESO=C(Cc1ccc2ccccc2c1)OI
InChIInChI=1S/C12H9IO2/c13-15-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKeyKDYLRNJHIHXVNE-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.28
Rot. Bonds2

About iodo 2-naphthalen-2-ylacetate

iodo 2-naphthalen-2-ylacetate (PubChem CID 129274840) has the molecular formula C12H9IO2 and a molecular weight of 312.11 g/mol. Its IUPAC name is iodo 2-naphthalen-2-ylacetate.

Molecular Properties

Compound Nameiodo 2-naphthalen-2-ylacetate
PubChem CID129274840
Molecular FormulaC12H9IO2
Molecular Weight312.11 g/mol
Exact Mass311.96
IUPAC Nameiodo 2-naphthalen-2-ylacetate
SMILESO=C(Cc1ccc2ccccc2c1)OI
InChIInChI=1S/C12H9IO2/c13-15-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKeyKDYLRNJHIHXVNE-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 162695032
CID 162695032
tris[(2-naphthalen-2-ylacetyl)oxy]stannyl 2-naphthalen-2-ylacetate
CID 141032751
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
sodium 2-naphthalen-2-ylacetate
CID 23688045
CID 173442082
CID 173442082
trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium
CID 15225296
1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264
(4-acetylphenyl) 2-naphthalen-2-ylacetate
CID 8764059
3-naphthalen-2-yl-2-oxopropanamide
CID 57061050
[2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828580
tert-butyl 5-naphthalen-2-yl-4-oxopentanoate
CID 58498117
2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate
CID 101047899

Frequently Asked Questions

What is the IUPAC name of iodo 2-naphthalen-2-ylacetate?
The IUPAC name of iodo 2-naphthalen-2-ylacetate (CID 129274840) is iodo 2-naphthalen-2-ylacetate.
What is the SMILES notation for iodo 2-naphthalen-2-ylacetate?
The canonical SMILES for iodo 2-naphthalen-2-ylacetate is O=C(Cc1ccc2ccccc2c1)OI.
What is the InChIKey of iodo 2-naphthalen-2-ylacetate?
The InChIKey is KDYLRNJHIHXVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IO2/c13-15-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2.
What are the key properties of iodo 2-naphthalen-2-ylacetate?
iodo 2-naphthalen-2-ylacetate has a molecular weight of 312.11 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 2-naphthalen-2-ylacetate is sourced from PubChem (CID 129274840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).