1-chloro-3-iodo-2-phenylnaphthalene

C16H10ClI — CID 141394667

IUPAC1-chloro-3-iodo-2-phenylnaphthalene
SMILESClc1c(-c2ccccc2)c(I)cc2ccccc12
InChIInChI=1S/C16H10ClI/c17-16-13-9-5-4-8-12(13)10-14(18)15(16)11-6-2-1-3-7-11/h1-10H
InChIKeySIKSWFORUYGBIE-UHFFFAOYSA-N
MW364.61 g/mol
LogP5.76
Rot. Bonds1

About 1-chloro-3-iodo-2-phenylnaphthalene

1-chloro-3-iodo-2-phenylnaphthalene (PubChem CID 141394667) has the molecular formula C16H10ClI and a molecular weight of 364.61 g/mol. Its IUPAC name is 1-chloro-3-iodo-2-phenylnaphthalene.

Molecular Properties

Compound Name1-chloro-3-iodo-2-phenylnaphthalene
PubChem CID141394667
Molecular FormulaC16H10ClI
Molecular Weight364.61 g/mol
Exact Mass363.95
IUPAC Name1-chloro-3-iodo-2-phenylnaphthalene
SMILESClc1c(-c2ccccc2)c(I)cc2ccccc12
InChIInChI=1S/C16H10ClI/c17-16-13-9-5-4-8-12(13)10-14(18)15(16)11-6-2-1-3-7-11/h1-10H
InChIKeySIKSWFORUYGBIE-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-3-iodo-2-phenylnaphthalene 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-chloro-1,3-diphenylnaphthalene
CID 12697982
1-iodo-10-phenylanthracene
CID 141156342
2,4-diiodo-1-phenylnaphthalene
CID 138966123
1-(2,3-diiodonaphthalen-1-yl)-2,3-diiodonaphthalene
CID 102479738
3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene
CID 71079311
1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol
CID 171920783
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
7-chloro-12-phenylbenzo[k]fluoranthene
CID 15211989
3-bromo-2-phenylnaphthalen-1-ol
CID 121316488
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-iodo-10-phenylanthracene
CID 14958373
2-bromo-4-chloro-1-phenylnaphthalene
CID 167008767

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-iodo-2-phenylnaphthalene?
The IUPAC name of 1-chloro-3-iodo-2-phenylnaphthalene (CID 141394667) is 1-chloro-3-iodo-2-phenylnaphthalene.
What is the SMILES notation for 1-chloro-3-iodo-2-phenylnaphthalene?
The canonical SMILES for 1-chloro-3-iodo-2-phenylnaphthalene is Clc1c(-c2ccccc2)c(I)cc2ccccc12.
What is the InChIKey of 1-chloro-3-iodo-2-phenylnaphthalene?
The InChIKey is SIKSWFORUYGBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClI/c17-16-13-9-5-4-8-12(13)10-14(18)15(16)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 1-chloro-3-iodo-2-phenylnaphthalene?
1-chloro-3-iodo-2-phenylnaphthalene has a molecular weight of 364.61 g/mol, XLogP of 5.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-iodo-2-phenylnaphthalene is sourced from PubChem (CID 141394667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).