2-butyl-5,7-dimethoxy-1-benzofuran

C14H18O3 — CID 135058890

IUPAC2-butyl-5,7-dimethoxy-1-benzofuran
SMILESCCCCc1cc2cc(OC)cc(OC)c2o1
InChIInChI=1S/C14H18O3/c1-4-5-6-11-7-10-8-12(15-2)9-13(16-3)14(10)17-11/h7-9H,4-6H2,1-3H3
InChIKeyMHAAVWUFQJGSJS-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.79
Rot. Bonds5

About 2-butyl-5,7-dimethoxy-1-benzofuran

2-butyl-5,7-dimethoxy-1-benzofuran (PubChem CID 135058890) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-butyl-5,7-dimethoxy-1-benzofuran.

Molecular Properties

Compound Name2-butyl-5,7-dimethoxy-1-benzofuran
PubChem CID135058890
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-butyl-5,7-dimethoxy-1-benzofuran
SMILESCCCCc1cc2cc(OC)cc(OC)c2o1
InChIInChI=1S/C14H18O3/c1-4-5-6-11-7-10-8-12(15-2)9-13(16-3)14(10)17-11/h7-9H,4-6H2,1-3H3
InChIKeyMHAAVWUFQJGSJS-UHFFFAOYSA-N
XLogP3.79
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran
CID 10358261
2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
CID 23655736
7,8-dihydroxy-6-methoxy-3-pentylisochromen-1-one
CID 71399667
7-chloro-6-methoxy-3-pentylisochromen-1-one
CID 102481689
3-hexyl-4-methoxy-6-undecylpyran-2-one
CID 18997489
[4-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]phenyl]methanol;ethyl 4-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]benzoate
CID 163689391
1-butyl-3,5-dimethoxybenzene
CID 524875
N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 70555736
2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine
CID 102408764
3-[(1S,2R)-1,2-dihydroxypropyl]-6,8-dimethoxychromen-2-one
CID 162998450
6-methoxy-3-propylisochromen-1-one
CID 11229706
(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate
CID 153333578

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,7-dimethoxy-1-benzofuran?
The IUPAC name of 2-butyl-5,7-dimethoxy-1-benzofuran (CID 135058890) is 2-butyl-5,7-dimethoxy-1-benzofuran.
What is the SMILES notation for 2-butyl-5,7-dimethoxy-1-benzofuran?
The canonical SMILES for 2-butyl-5,7-dimethoxy-1-benzofuran is CCCCc1cc2cc(OC)cc(OC)c2o1.
What is the InChIKey of 2-butyl-5,7-dimethoxy-1-benzofuran?
The InChIKey is MHAAVWUFQJGSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-5-6-11-7-10-8-12(15-2)9-13(16-3)14(10)17-11/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-butyl-5,7-dimethoxy-1-benzofuran?
2-butyl-5,7-dimethoxy-1-benzofuran has a molecular weight of 234.29 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,7-dimethoxy-1-benzofuran is sourced from PubChem (CID 135058890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).