(2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone

C18H13IO2 — CID 63491327

IUPAC(2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3ccccc3I)ccc2c1
InChIInChI=1S/C18H13IO2/c1-21-15-9-8-12-10-14(7-6-13(12)11-15)18(20)16-4-2-3-5-17(16)19/h2-11H,1H3
InChIKeyAWYUMRXMEOZFPU-UHFFFAOYSA-N
MW388.20 g/mol
LogP4.68
Rot. Bonds3

About (2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone

(2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone (PubChem CID 63491327) has the molecular formula C18H13IO2 and a molecular weight of 388.20 g/mol. Its IUPAC name is (2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
PubChem CID63491327
Molecular FormulaC18H13IO2
Molecular Weight388.20 g/mol
Exact Mass388.00
IUPAC Name(2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3ccccc3I)ccc2c1
InChIInChI=1S/C18H13IO2/c1-21-15-9-8-12-10-14(7-6-13(12)11-15)18(20)16-4-2-3-5-17(16)19/h2-11H,1H3
InChIKeyAWYUMRXMEOZFPU-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.20
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023
(3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491316
(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone
CID 123555772
7-methoxy-3-(6-methoxynaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
CID 54292722
(2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793494
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 23960508

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone?
The IUPAC name of (2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone (CID 63491327) is (2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for (2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for (2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone is COc1ccc2cc(C(=O)c3ccccc3I)ccc2c1.
What is the InChIKey of (2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone?
The InChIKey is AWYUMRXMEOZFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13IO2/c1-21-15-9-8-12-10-14(7-6-13(12)11-15)18(20)16-4-2-3-5-17(16)19/h2-11H,1H3.
What are the key properties of (2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone?
(2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone has a molecular weight of 388.20 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 63491327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).