5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran

C16H15ClO — CID 145039185

IUPAC5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran
SMILESCC1(C)Cc2cc(Cl)cc(-c3ccccc3)c2O1
InChIInChI=1S/C16H15ClO/c1-16(2)10-12-8-13(17)9-14(15(12)18-16)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyFJNVVWLIGRIXPG-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.72
Rot. Bonds1

About 5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran

5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran (PubChem CID 145039185) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran
PubChem CID145039185
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran
SMILESCC1(C)Cc2cc(Cl)cc(-c3ccccc3)c2O1
InChIInChI=1S/C16H15ClO/c1-16(2)10-12-8-13(17)9-14(15(12)18-16)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyFJNVVWLIGRIXPG-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran?
The IUPAC name of 5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran (CID 145039185) is 5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran.
What is the SMILES notation for 5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran?
The canonical SMILES for 5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran is CC1(C)Cc2cc(Cl)cc(-c3ccccc3)c2O1.
What is the InChIKey of 5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran?
The InChIKey is FJNVVWLIGRIXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c1-16(2)10-12-8-13(17)9-14(15(12)18-16)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran?
5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran has a molecular weight of 258.75 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran is sourced from PubChem (CID 145039185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).