(4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone

C24H28O3 — CID 71263713

IUPAC(4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone
SMILESCCCCOc1ccc(C(=O)c2c(CCCC)oc3ccc(C)cc23)cc1
InChIInChI=1S/C24H28O3/c1-4-6-8-22-23(20-16-17(3)9-14-21(20)27-22)24(25)18-10-12-19(13-11-18)26-15-7-5-2/h9-14,16H,4-8,15H2,1-3H3
InChIKeyDUVYOFXZPLORTR-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.49
Rot. Bonds9

About (4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone

(4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone (PubChem CID 71263713) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is (4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone
PubChem CID71263713
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name(4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone
SMILESCCCCOc1ccc(C(=O)c2c(CCCC)oc3ccc(C)cc23)cc1
InChIInChI=1S/C24H28O3/c1-4-6-8-22-23(20-16-17(3)9-14-21(20)27-22)24(25)18-10-12-19(13-11-18)26-15-7-5-2/h9-14,16H,4-8,15H2,1-3H3
InChIKeyDUVYOFXZPLORTR-UHFFFAOYSA-N
XLogP6.49
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-butyl-1-benzofuran-3-yl)-[4-(3-chloropropoxy)phenyl]methanone
CID 56926412
methyl 2-butyl-3-[4-(3-chloropropoxy)benzoyl]-1-benzofuran-5-carboxylate
CID 141302889
CID 158215415
CID 158215415
2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-carboxamide
CID 10207559
[4-(2-bromoethoxy)phenyl]-(2-butyl-5-nitro-1-benzofuran-3-yl)methanone
CID 19754380
(5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 70653167
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-(3,3-diethoxypropoxy)phenyl]methanone
CID 71498257
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3,3-dideuterio-3-(dibutylamino)propoxy]phenyl]methanone
CID 72735129
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[2-(4-methylphenyl)ethynyl]phenyl]methanone
CID 155927268
[4-(2-butyl-5-nitro-1-benzofuran-3-carbonyl)phenyl] 4-methylbenzenesulfonate
CID 71656411
[2-butyl-5-[(E)-methoxyiminomethyl]-1-benzofuran-3-yl]-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid
CID 172984668
N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide;hydrogen sulfate
CID 56941412

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone?
The IUPAC name of (4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone (CID 71263713) is (4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone?
The canonical SMILES for (4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone is CCCCOc1ccc(C(=O)c2c(CCCC)oc3ccc(C)cc23)cc1.
What is the InChIKey of (4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone?
The InChIKey is DUVYOFXZPLORTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O3/c1-4-6-8-22-23(20-16-17(3)9-14-21(20)27-22)24(25)18-10-12-19(13-11-18)26-15-7-5-2/h9-14,16H,4-8,15H2,1-3H3.
What are the key properties of (4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone?
(4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 6.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 71263713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).