2-(4-chloro-2-nitrophenoxy)naphthalene

C16H10ClNO3 — CID 2301675

IUPAC2-(4-chloro-2-nitrophenoxy)naphthalene
SMILESO=[N+]([O-])c1cc(Cl)ccc1Oc1ccc2ccccc2c1
InChIInChI=1S/C16H10ClNO3/c17-13-6-8-16(15(10-13)18(19)20)21-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H
InChIKeyDMTYVIRCSVCHGV-UHFFFAOYSA-N
MW299.71 g/mol
LogP5.19
Rot. Bonds3

About 2-(4-chloro-2-nitrophenoxy)naphthalene

2-(4-chloro-2-nitrophenoxy)naphthalene (PubChem CID 2301675) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenoxy)naphthalene.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenoxy)naphthalene
PubChem CID2301675
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name2-(4-chloro-2-nitrophenoxy)naphthalene
SMILESO=[N+]([O-])c1cc(Cl)ccc1Oc1ccc2ccccc2c1
InChIInChI=1S/C16H10ClNO3/c17-13-6-8-16(15(10-13)18(19)20)21-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H
InChIKeyDMTYVIRCSVCHGV-UHFFFAOYSA-N
XLogP5.19
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.71
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenoxy)naphthalene?
The IUPAC name of 2-(4-chloro-2-nitrophenoxy)naphthalene (CID 2301675) is 2-(4-chloro-2-nitrophenoxy)naphthalene.
What is the SMILES notation for 2-(4-chloro-2-nitrophenoxy)naphthalene?
The canonical SMILES for 2-(4-chloro-2-nitrophenoxy)naphthalene is O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc2ccccc2c1.
What is the InChIKey of 2-(4-chloro-2-nitrophenoxy)naphthalene?
The InChIKey is DMTYVIRCSVCHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-13-6-8-16(15(10-13)18(19)20)21-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H.
What are the key properties of 2-(4-chloro-2-nitrophenoxy)naphthalene?
2-(4-chloro-2-nitrophenoxy)naphthalene has a molecular weight of 299.71 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitrophenoxy)naphthalene is sourced from PubChem (CID 2301675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).