6-chloro-3H-2-benzofuran-1-one

C8H5ClO2 — CID 7174165

IUPAC6-chloro-3H-2-benzofuran-1-one
SMILESO=C1OCc2ccc(Cl)cc21
InChIInChI=1S/C8H5ClO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2
InChIKeyNUAVXUHBPNMQEV-UHFFFAOYSA-N
MW168.58 g/mol
LogP2.01
Rot. Bonds

About 6-chloro-3H-2-benzofuran-1-one

6-chloro-3H-2-benzofuran-1-one (PubChem CID 7174165) has the molecular formula C8H5ClO2 and a molecular weight of 168.58 g/mol. Its IUPAC name is 6-chloro-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-chloro-3H-2-benzofuran-1-one
PubChem CID7174165
Molecular FormulaC8H5ClO2
Molecular Weight168.58 g/mol
Exact Mass168.00
IUPAC Name6-chloro-3H-2-benzofuran-1-one
SMILESO=C1OCc2ccc(Cl)cc21
InChIInChI=1S/C8H5ClO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2
InChIKeyNUAVXUHBPNMQEV-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3H-2-benzofuran-1-one?
The IUPAC name of 6-chloro-3H-2-benzofuran-1-one (CID 7174165) is 6-chloro-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-chloro-3H-2-benzofuran-1-one?
The canonical SMILES for 6-chloro-3H-2-benzofuran-1-one is O=C1OCc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-3H-2-benzofuran-1-one?
The InChIKey is NUAVXUHBPNMQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2.
What are the key properties of 6-chloro-3H-2-benzofuran-1-one?
6-chloro-3H-2-benzofuran-1-one has a molecular weight of 168.58 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3H-2-benzofuran-1-one is sourced from PubChem (CID 7174165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).