1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone

C18H18O2 — CID 63019334

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc3c(c2)COC3)cc1C
InChIInChI=1S/C18H18O2/c1-12-3-4-14(7-13(12)2)8-18(19)15-5-6-16-10-20-11-17(16)9-15/h3-7,9H,8,10-11H2,1-2H3
InChIKeyBHVDRLUZUXXPOI-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.76
Rot. Bonds3

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 63019334) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID63019334
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc3c(c2)COC3)cc1C
InChIInChI=1S/C18H18O2/c1-12-3-4-14(7-13(12)2)8-18(19)15-5-6-16-10-20-11-17(16)9-15/h3-7,9H,8,10-11H2,1-2H3
InChIKeyBHVDRLUZUXXPOI-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490239
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone
CID 114974112
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone
CID 63019690
1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone
CID 157120935
2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 63020393
1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one
CID 25187486
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylpent-4-en-1-one
CID 115802815
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979375
2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821172
2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone
CID 63491622
2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299275

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone (CID 63019334) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)c2ccc3c(c2)COC3)cc1C.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is BHVDRLUZUXXPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12-3-4-14(7-13(12)2)8-18(19)15-5-6-16-10-20-11-17(16)9-15/h3-7,9H,8,10-11H2,1-2H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 63019334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).