7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran

C15H13ClO — CID 173176078

IUPAC7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran
SMILESCc1ccc(Cl)cc1-c1cccc2c1OCC2
InChIInChI=1S/C15H13ClO/c1-10-5-6-12(16)9-14(10)13-4-2-3-11-7-8-17-15(11)13/h2-6,9H,7-8H2,1H3
InChIKeyQXDBHSRUWJAZEI-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.25
Rot. Bonds1

About 7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran

7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran (PubChem CID 173176078) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran
PubChem CID173176078
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran
SMILESCc1ccc(Cl)cc1-c1cccc2c1OCC2
InChIInChI=1S/C15H13ClO/c1-10-5-6-12(16)9-14(10)13-4-2-3-11-7-8-17-15(11)13/h2-6,9H,7-8H2,1H3
InChIKeyQXDBHSRUWJAZEI-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811210
2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline
CID 107616064
3-(3,4-dihydro-2H-chromen-8-yl)-4-methylpyridine
CID 165409098
N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 114746537
(3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053279
4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole
CID 162625614
8-(2,3-dihydro-1-benzofuran-7-yl)-2-methylquinazoline
CID 145234099
ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
CID 143222384
4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine
CID 114747119

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran (CID 173176078) is 7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran is Cc1ccc(Cl)cc1-c1cccc2c1OCC2.
What is the InChIKey of 7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran?
The InChIKey is QXDBHSRUWJAZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-10-5-6-12(16)9-14(10)13-4-2-3-11-7-8-17-15(11)13/h2-6,9H,7-8H2,1H3.
What are the key properties of 7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran?
7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran has a molecular weight of 244.72 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 173176078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).