1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone

C18H16O3 — CID 29075985

IUPAC1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H16O3/c1-12(2)20-15-9-7-13(8-10-15)18(19)17-11-14-5-3-4-6-16(14)21-17/h3-12H,1-2H3
InChIKeyPUQRBBICBBDVIA-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.45
Rot. Bonds4

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

1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone (PubChem CID 29075985) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
PubChem CID29075985
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H16O3/c1-12(2)20-15-9-7-13(8-10-15)18(19)17-11-14-5-3-4-6-16(14)21-17/h3-12H,1-2H3
InChIKeyPUQRBBICBBDVIA-UHFFFAOYSA-N
XLogP4.45
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-[3-(difluoromethoxy)phenyl]methanone
CID 43145532
1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 115807026
[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193714
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108720361
1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone
CID 168514058
(2R)-2-[3-(1-benzofuran-2-carbonyl)phenyl]propanamide
CID 11680880
N-[4-(1-benzofuran-2-carbonyl)phenyl]-2-methoxybenzamide
CID 42571061
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-(3-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108721492
N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
CID 17468740
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
2-[4-(2-oxochromene-3-carbonyl)phenoxy]propyl propanoate
CID 175067132
1-(1-benzofuran-2-yl)ethanone
CID 15435

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone (CID 29075985) is 1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of 1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is PUQRBBICBBDVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-12(2)20-15-9-7-13(8-10-15)18(19)17-11-14-5-3-4-6-16(14)21-17/h3-12H,1-2H3.
What are the key properties of 1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone?
1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 280.32 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 29075985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).