(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone

C20H20O3 — CID 160606304

IUPAC(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
SMILESCCCCc1c(C(=O)c2ccc(OC)cc2)oc2ccccc12
InChIInChI=1S/C20H20O3/c1-3-4-7-17-16-8-5-6-9-18(16)23-20(17)19(21)14-10-12-15(22-2)13-11-14/h5-6,8-13H,3-4,7H2,1-2H3
InChIKeyREXJJQDLLTVPDO-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.01
Rot. Bonds6

About (3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone

(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 160606304) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
PubChem CID160606304
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
SMILESCCCCc1c(C(=O)c2ccc(OC)cc2)oc2ccccc12
InChIInChI=1S/C20H20O3/c1-3-4-7-17-16-8-5-6-9-18(16)23-20(17)19(21)14-10-12-15(22-2)13-11-14/h5-6,8-13H,3-4,7H2,1-2H3
InChIKeyREXJJQDLLTVPDO-UHFFFAOYSA-N
XLogP5.01
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355
[3-[[(S)-(4-methoxyphenyl)sulfinyl]methyl]-1-benzofuran-2-yl]-phenylmethanone
CID 40512828
ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560150
(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880617
[3-(3-butoxy-3-hydroxy-2-methylpropyl)-1-benzofuran-2-yl]-phenylmethanone
CID 123280440
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848189
(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
CID 10713712
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7961098
(5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 70653167
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711

Frequently Asked Questions

What is the IUPAC name of (3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone (CID 160606304) is (3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone is CCCCc1c(C(=O)c2ccc(OC)cc2)oc2ccccc12.
What is the InChIKey of (3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is REXJJQDLLTVPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-3-4-7-17-16-8-5-6-9-18(16)23-20(17)19(21)14-10-12-15(22-2)13-11-14/h5-6,8-13H,3-4,7H2,1-2H3.
What are the key properties of (3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 308.38 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 160606304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).