1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one

C18H18O2 — CID 63021260

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1ccc2c(c1)COC2)c1ccccc1
InChIInChI=1S/C18H18O2/c1-2-17(13-6-4-3-5-7-13)18(19)14-8-9-15-11-20-12-16(15)10-14/h3-10,17H,2,11-12H2,1H3
InChIKeyOCJKTDDYQPVFPS-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.09
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one

1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one (PubChem CID 63021260) 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-phenylbutan-1-one.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one
PubChem CID63021260
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1ccc2c(c1)COC2)c1ccccc1
InChIInChI=1S/C18H18O2/c1-2-17(13-6-4-3-5-7-13)18(19)14-8-9-15-11-20-12-16(15)10-14/h3-10,17H,2,11-12H2,1H3
InChIKeyOCJKTDDYQPVFPS-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
CID 125480458
2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
CID 146007205
1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one
CID 146008361
1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471
1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one
CID 146005749
(4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63730810
1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
CID 146006844
2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one
CID 83154271
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
CID 66469631
1-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutan-1-one
CID 146008511
1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one
CID 114975971

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one (CID 63021260) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one is CCC(C(=O)c1ccc2c(c1)COC2)c1ccccc1.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one?
The InChIKey is OCJKTDDYQPVFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-17(13-6-4-3-5-7-13)18(19)14-8-9-15-11-20-12-16(15)10-14/h3-10,17H,2,11-12H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.09, 4 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-phenylbutan-1-one is sourced from PubChem (CID 63021260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).