8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol

C19H24O2 — CID 114819752

IUPAC8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol
SMILESCc1cccc2cc(C3(O)CCC4(CCCC4)CC3)oc12
InChIInChI=1S/C19H24O2/c1-14-5-4-6-15-13-16(21-17(14)15)19(20)11-9-18(10-12-19)7-2-3-8-18/h4-6,13,20H,2-3,7-12H2,1H3
InChIKeyZDGCKXHLLJYFMY-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.06
Rot. Bonds1

About 8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol

8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol (PubChem CID 114819752) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol
PubChem CID114819752
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol
SMILESCc1cccc2cc(C3(O)CCC4(CCCC4)CC3)oc12
InChIInChI=1S/C19H24O2/c1-14-5-4-6-15-13-16(21-17(14)15)19(20)11-9-18(10-12-19)7-2-3-8-18/h4-6,13,20H,2-3,7-12H2,1H3
InChIKeyZDGCKXHLLJYFMY-UHFFFAOYSA-N
XLogP5.06
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol with MolForge

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Related Compounds

4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one
CID 114724058
2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol
CID 114722939
2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol
CID 114723809
1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
CID 114735091
2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114723887
1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol
CID 114724418
3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114722876
2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114724391
(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736196
(7-methyl-1-benzofuran-2-yl)-(1-methylcyclopentyl)methanol
CID 115836488
[1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114725657
2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114737417

Frequently Asked Questions

What is the IUPAC name of 8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol?
The IUPAC name of 8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol (CID 114819752) is 8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol?
The canonical SMILES for 8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol is Cc1cccc2cc(C3(O)CCC4(CCCC4)CC3)oc12.
What is the InChIKey of 8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol?
The InChIKey is ZDGCKXHLLJYFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-14-5-4-6-15-13-16(21-17(14)15)19(20)11-9-18(10-12-19)7-2-3-8-18/h4-6,13,20H,2-3,7-12H2,1H3.
What are the key properties of 8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol?
8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol has a molecular weight of 284.40 g/mol, XLogP of 5.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol is sourced from PubChem (CID 114819752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).