7-methyl-3-phenyl-2,3-dihydro-1-benzofuran

C15H14O — CID 15691552

IUPAC7-methyl-3-phenyl-2,3-dihydro-1-benzofuran
SMILESCc1cccc2c1OCC2c1ccccc1
InChIInChI=1S/C15H14O/c1-11-6-5-9-13-14(10-16-15(11)13)12-7-3-2-4-8-12/h2-9,14H,10H2,1H3
InChIKeyAQUIFBVWSAJAHQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.52
Rot. Bonds1

About 7-methyl-3-phenyl-2,3-dihydro-1-benzofuran

7-methyl-3-phenyl-2,3-dihydro-1-benzofuran (PubChem CID 15691552) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 7-methyl-3-phenyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-methyl-3-phenyl-2,3-dihydro-1-benzofuran
PubChem CID15691552
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name7-methyl-3-phenyl-2,3-dihydro-1-benzofuran
SMILESCc1cccc2c1OCC2c1ccccc1
InChIInChI=1S/C15H14O/c1-11-6-5-9-13-14(10-16-15(11)13)12-7-3-2-4-8-12/h2-9,14H,10H2,1H3
InChIKeyAQUIFBVWSAJAHQ-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-phenyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-methyl-3-phenyl-2,3-dihydro-1-benzofuran (CID 15691552) is 7-methyl-3-phenyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-methyl-3-phenyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-methyl-3-phenyl-2,3-dihydro-1-benzofuran is Cc1cccc2c1OCC2c1ccccc1.
What is the InChIKey of 7-methyl-3-phenyl-2,3-dihydro-1-benzofuran?
The InChIKey is AQUIFBVWSAJAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-11-6-5-9-13-14(10-16-15(11)13)12-7-3-2-4-8-12/h2-9,14H,10H2,1H3.
What are the key properties of 7-methyl-3-phenyl-2,3-dihydro-1-benzofuran?
7-methyl-3-phenyl-2,3-dihydro-1-benzofuran has a molecular weight of 210.28 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-phenyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 15691552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).