2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone

C18H18O3 — CID 43339571

IUPAC2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C18H18O3/c1-12(2)20-15-9-7-13(8-10-15)18(19)17-11-14-5-3-4-6-16(14)21-17/h3-10,12,17H,11H2,1-2H3
InChIKeySUFBNIYGHPBGEX-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.66
Rot. Bonds4

About 2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone

2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone (PubChem CID 43339571) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
PubChem CID43339571
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C18H18O3/c1-12(2)20-15-9-7-13(8-10-15)18(19)17-11-14-5-3-4-6-16(14)21-17/h3-10,12,17H,11H2,1-2H3
InChIKeySUFBNIYGHPBGEX-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 132502479
N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55793270
(3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 132502482
2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone
CID 43337896
3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one
CID 79638659
(Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide
CID 90190601
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
(3S)-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 731093
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3147781
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate
CID 54496450
2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone (CID 43339571) is 2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)C2Cc3ccccc3O2)cc1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is SUFBNIYGHPBGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-12(2)20-15-9-7-13(8-10-15)18(19)17-11-14-5-3-4-6-16(14)21-17/h3-10,12,17H,11H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone?
2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 282.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 43339571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).