2-(3-isocyanophenoxy)naphthalene

C17H11NO — CID 58104184

IUPAC2-(3-isocyanophenoxy)naphthalene
SMILES[C-]#[N+]c1cccc(Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C17H11NO/c1-18-15-7-4-8-16(12-15)19-17-10-9-13-5-2-3-6-14(13)11-17/h2-12H
InChIKeyMWZGFCPPNXJBHQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP5.18
Rot. Bonds2

About 2-(3-isocyanophenoxy)naphthalene

2-(3-isocyanophenoxy)naphthalene (PubChem CID 58104184) has the molecular formula C17H11NO and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(3-isocyanophenoxy)naphthalene.

Molecular Properties

Compound Name2-(3-isocyanophenoxy)naphthalene
PubChem CID58104184
Molecular FormulaC17H11NO
Molecular Weight245.28 g/mol
Exact Mass245.08
IUPAC Name2-(3-isocyanophenoxy)naphthalene
SMILES[C-]#[N+]c1cccc(Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C17H11NO/c1-18-15-7-4-8-16(12-15)19-17-10-9-13-5-2-3-6-14(13)11-17/h2-12H
InChIKeyMWZGFCPPNXJBHQ-UHFFFAOYSA-N
XLogP5.18
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.28
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-isocyanophenoxy)naphthalene?
The IUPAC name of 2-(3-isocyanophenoxy)naphthalene (CID 58104184) is 2-(3-isocyanophenoxy)naphthalene.
What is the SMILES notation for 2-(3-isocyanophenoxy)naphthalene?
The canonical SMILES for 2-(3-isocyanophenoxy)naphthalene is [C-]#[N+]c1cccc(Oc2ccc3ccccc3c2)c1.
What is the InChIKey of 2-(3-isocyanophenoxy)naphthalene?
The InChIKey is MWZGFCPPNXJBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO/c1-18-15-7-4-8-16(12-15)19-17-10-9-13-5-2-3-6-14(13)11-17/h2-12H.
What are the key properties of 2-(3-isocyanophenoxy)naphthalene?
2-(3-isocyanophenoxy)naphthalene has a molecular weight of 245.28 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-isocyanophenoxy)naphthalene is sourced from PubChem (CID 58104184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).