2-chloronaphtho[2,1-b][1]benzofuran

C16H9ClO — CID 134850342

IUPAC2-chloronaphtho[2,1-b][1]benzofuran
SMILESClc1ccc2ccc3oc4ccccc4c3c2c1
InChIInChI=1S/C16H9ClO/c17-11-7-5-10-6-8-15-16(13(10)9-11)12-3-1-2-4-14(12)18-15/h1-9H
InChIKeyUSTIKRUUINEQNX-UHFFFAOYSA-N
MW252.70 g/mol
LogP5.39
Rot. Bonds

About 2-chloronaphtho[2,1-b][1]benzofuran

2-chloronaphtho[2,1-b][1]benzofuran (PubChem CID 134850342) has the molecular formula C16H9ClO and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-chloronaphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name2-chloronaphtho[2,1-b][1]benzofuran
PubChem CID134850342
Molecular FormulaC16H9ClO
Molecular Weight252.70 g/mol
Exact Mass252.03
IUPAC Name2-chloronaphtho[2,1-b][1]benzofuran
SMILESClc1ccc2ccc3oc4ccccc4c3c2c1
InChIInChI=1S/C16H9ClO/c17-11-7-5-10-6-8-15-16(13(10)9-11)12-3-1-2-4-14(12)18-15/h1-9H
InChIKeyUSTIKRUUINEQNX-UHFFFAOYSA-N
XLogP5.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.70
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloronaphtho[2,1-b][1]benzofuran?
The IUPAC name of 2-chloronaphtho[2,1-b][1]benzofuran (CID 134850342) is 2-chloronaphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 2-chloronaphtho[2,1-b][1]benzofuran?
The canonical SMILES for 2-chloronaphtho[2,1-b][1]benzofuran is Clc1ccc2ccc3oc4ccccc4c3c2c1.
What is the InChIKey of 2-chloronaphtho[2,1-b][1]benzofuran?
The InChIKey is USTIKRUUINEQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClO/c17-11-7-5-10-6-8-15-16(13(10)9-11)12-3-1-2-4-14(12)18-15/h1-9H.
What are the key properties of 2-chloronaphtho[2,1-b][1]benzofuran?
2-chloronaphtho[2,1-b][1]benzofuran has a molecular weight of 252.70 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloronaphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 134850342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).