1,3-dichloro-6-methyldibenzofuran

C13H8Cl2O — CID 526434

IUPAC1,3-dichloro-6-methyldibenzofuran
SMILESCc1cccc2c1oc1cc(Cl)cc(Cl)c12
InChIInChI=1S/C13H8Cl2O/c1-7-3-2-4-9-12-10(15)5-8(14)6-11(12)16-13(7)9/h2-6H,1H3
InChIKeyGGFSEMBFVHJMCB-UHFFFAOYSA-N
MW251.11 g/mol
LogP5.20
Rot. Bonds

About 1,3-dichloro-6-methyldibenzofuran

1,3-dichloro-6-methyldibenzofuran (PubChem CID 526434) has the molecular formula C13H8Cl2O and a molecular weight of 251.11 g/mol. Its IUPAC name is 1,3-dichloro-6-methyldibenzofuran.

Molecular Properties

Compound Name1,3-dichloro-6-methyldibenzofuran
PubChem CID526434
Molecular FormulaC13H8Cl2O
Molecular Weight251.11 g/mol
Exact Mass250.00
IUPAC Name1,3-dichloro-6-methyldibenzofuran
SMILESCc1cccc2c1oc1cc(Cl)cc(Cl)c12
InChIInChI=1S/C13H8Cl2O/c1-7-3-2-4-9-12-10(15)5-8(14)6-11(12)16-13(7)9/h2-6H,1H3
InChIKeyGGFSEMBFVHJMCB-UHFFFAOYSA-N
XLogP5.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.11
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-6-methyldibenzofuran?
The IUPAC name of 1,3-dichloro-6-methyldibenzofuran (CID 526434) is 1,3-dichloro-6-methyldibenzofuran.
What is the SMILES notation for 1,3-dichloro-6-methyldibenzofuran?
The canonical SMILES for 1,3-dichloro-6-methyldibenzofuran is Cc1cccc2c1oc1cc(Cl)cc(Cl)c12.
What is the InChIKey of 1,3-dichloro-6-methyldibenzofuran?
The InChIKey is GGFSEMBFVHJMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O/c1-7-3-2-4-9-12-10(15)5-8(14)6-11(12)16-13(7)9/h2-6H,1H3.
What are the key properties of 1,3-dichloro-6-methyldibenzofuran?
1,3-dichloro-6-methyldibenzofuran has a molecular weight of 251.11 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-6-methyldibenzofuran is sourced from PubChem (CID 526434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).