1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol

C18H28O3 — CID 65150817

IUPAC1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol
SMILESCCCCCCC(O)c1cc2c(cc1OCC)CC(C)O2
InChIInChI=1S/C18H28O3/c1-4-6-7-8-9-16(19)15-12-17-14(10-13(3)21-17)11-18(15)20-5-2/h11-13,16,19H,4-10H2,1-3H3
InChIKeyJIJYTNGQCGVKQM-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.41
Rot. Bonds8

About 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol

1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol (PubChem CID 65150817) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol.

Molecular Properties

Compound Name1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol
PubChem CID65150817
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol
SMILESCCCCCCC(O)c1cc2c(cc1OCC)CC(C)O2
InChIInChI=1S/C18H28O3/c1-4-6-7-8-9-16(19)15-12-17-14(10-13(3)21-17)11-18(15)20-5-2/h11-13,16,19H,4-10H2,1-3H3
InChIKeyJIJYTNGQCGVKQM-UHFFFAOYSA-N
XLogP4.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol
CID 62775282
2-cyclopentyl-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 65150918
cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 63893850
2-amino-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 24695376
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol
CID 115349956
ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate
CID 60788248
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)hex-4-yn-1-ol
CID 104809675
(3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 63942614
(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 7874317
2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(ethylamino)acetonitrile
CID 43115106
2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-formamidoacetic acid
CID 63689683

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol?
The IUPAC name of 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol (CID 65150817) is 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol.
What is the SMILES notation for 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol?
The canonical SMILES for 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol is CCCCCCC(O)c1cc2c(cc1OCC)CC(C)O2.
What is the InChIKey of 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol?
The InChIKey is JIJYTNGQCGVKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-4-6-7-8-9-16(19)15-12-17-14(10-13(3)21-17)11-18(15)20-5-2/h11-13,16,19H,4-10H2,1-3H3.
What are the key properties of 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol?
1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol is sourced from PubChem (CID 65150817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).