1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one

C18H18O2 — CID 105135090

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)c2cccc3c2OCC3)cc1
InChIInChI=1S/C18H18O2/c1-13-5-7-14(8-6-13)9-10-17(19)16-4-2-3-15-11-12-20-18(15)16/h2-8H,9-12H2,1H3
InChIKeyFSWQIEHDQHEJIV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.75
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one

1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one (PubChem CID 105135090) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one
PubChem CID105135090
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)c2cccc3c2OCC3)cc1
InChIInChI=1S/C18H18O2/c1-13-5-7-14(8-6-13)9-10-17(19)16-4-2-3-15-11-12-20-18(15)16/h2-8H,9-12H2,1H3
InChIKeyFSWQIEHDQHEJIV-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one (CID 105135090) is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one is Cc1ccc(CCC(=O)c2cccc3c2OCC3)cc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one?
The InChIKey is FSWQIEHDQHEJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13-5-7-14(8-6-13)9-10-17(19)16-4-2-3-15-11-12-20-18(15)16/h2-8H,9-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one?
1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 105135090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).