1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol

C16H24O3 — CID 115349956

IUPAC1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol
SMILESCOc1cc2c(cc1C(O)CCC(C)C)OC(C)C2
InChIInChI=1S/C16H24O3/c1-10(2)5-6-14(17)13-9-15-12(7-11(3)19-15)8-16(13)18-4/h8-11,14,17H,5-7H2,1-4H3
InChIKeyWZKZVFMHMRMLHT-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.49
Rot. Bonds5

About 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol

1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol (PubChem CID 115349956) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol
PubChem CID115349956
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol
SMILESCOc1cc2c(cc1C(O)CCC(C)C)OC(C)C2
InChIInChI=1S/C16H24O3/c1-10(2)5-6-14(17)13-9-15-12(7-11(3)19-15)8-16(13)18-4/h8-11,14,17H,5-7H2,1-4H3
InChIKeyWZKZVFMHMRMLHT-UHFFFAOYSA-N
XLogP3.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)hexan-1-ol
CID 115349970
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)hex-4-yn-1-ol
CID 104809675
cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 115350010
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol
CID 104735809
1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol
CID 65150817
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 115349938
2-amino-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 43209051
2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol
CID 103376772
2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol
CID 115350167
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate
CID 113291917
(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol
CID 115349975
3-(dimethylamino)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 115350104

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol?
The IUPAC name of 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol (CID 115349956) is 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol is COc1cc2c(cc1C(O)CCC(C)C)OC(C)C2.
What is the InChIKey of 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol?
The InChIKey is WZKZVFMHMRMLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10(2)5-6-14(17)13-9-15-12(7-11(3)19-15)8-16(13)18-4/h8-11,14,17H,5-7H2,1-4H3.
What are the key properties of 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol?
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 115349956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).