(1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone

C15H16O3 — CID 114726107

IUPAC(1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCOC1(C(=O)c2cc3cc(C)ccc3o2)CCC1
InChIInChI=1S/C15H16O3/c1-10-4-5-12-11(8-10)9-13(18-12)14(16)15(17-2)6-3-7-15/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyWOFDFGKKAZHAOO-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.49
Rot. Bonds3

About (1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone

(1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 114726107) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID114726107
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCOC1(C(=O)c2cc3cc(C)ccc3o2)CCC1
InChIInChI=1S/C15H16O3/c1-10-4-5-12-11(8-10)9-13(18-12)14(16)15(17-2)6-3-7-15/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyWOFDFGKKAZHAOO-UHFFFAOYSA-N
XLogP3.49
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
N-(2-chloroethyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 63391619
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide
CID 61150971
1-(5-methyl-1-benzofuran-2-yl)prop-2-yn-1-one
CID 105108138
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 107406227
N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 62955877
methyl 3-(5-methyl-1-benzofuran-2-carbonyl)azulene-1-carboxylate
CID 10882473
(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725880
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
(1-aminocyclobutyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737132

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone (CID 114726107) is (1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone is COC1(C(=O)c2cc3cc(C)ccc3o2)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is WOFDFGKKAZHAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10-4-5-12-11(8-10)9-13(18-12)14(16)15(17-2)6-3-7-15/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of (1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone?
(1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 244.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114726107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).