7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran

C15H13ClO — CID 143159059

IUPAC7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cccc(-c3ccc(Cl)cc3)c2O1
InChIInChI=1S/C15H13ClO/c1-10-9-12-3-2-4-14(15(12)17-10)11-5-7-13(16)8-6-11/h2-8,10H,9H2,1H3
InChIKeyVQECBBACWBRLPP-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.33
Rot. Bonds1

About 7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran

7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 143159059) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID143159059
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cccc(-c3ccc(Cl)cc3)c2O1
InChIInChI=1S/C15H13ClO/c1-10-9-12-3-2-4-14(15(12)17-10)11-5-7-13(16)8-6-11/h2-8,10H,9H2,1H3
InChIKeyVQECBBACWBRLPP-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran (CID 143159059) is 7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran is CC1Cc2cccc(-c3ccc(Cl)cc3)c2O1.
What is the InChIKey of 7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is VQECBBACWBRLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-10-9-12-3-2-4-14(15(12)17-10)11-5-7-13(16)8-6-11/h2-8,10H,9H2,1H3.
What are the key properties of 7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran?
7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 244.72 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 143159059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).