6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane]

C17H24O2 — CID 12036427

IUPAC6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane]
SMILESCOc1ccc2c(c1)OC1(CCC(C)CC1)C2(C)C
InChIInChI=1S/C17H24O2/c1-12-7-9-17(10-8-12)16(2,3)14-6-5-13(18-4)11-15(14)19-17/h5-6,11-12H,7-10H2,1-4H3
InChIKeyCDZWCLOOXLOTOF-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.31
Rot. Bonds1

About 6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane]

6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane] (PubChem CID 12036427) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane].

Molecular Properties

Compound Name6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane]
PubChem CID12036427
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane]
SMILESCOc1ccc2c(c1)OC1(CCC(C)CC1)C2(C)C
InChIInChI=1S/C17H24O2/c1-12-7-9-17(10-8-12)16(2,3)14-6-5-13(18-4)11-15(14)19-17/h5-6,11-12H,7-10H2,1-4H3
InChIKeyCDZWCLOOXLOTOF-UHFFFAOYSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane] with MolForge

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Related Compounds

(4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944827
7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114710871
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide
CID 21257135
(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol
CID 104948836
(2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran
CID 16726534
2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene
CID 172625552
6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
CID 54098142
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
(4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951051
3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol
CID 82718193
2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline
CID 23087080
3,7-dimethoxy-2,2-dimethylchromene
CID 70516159

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane]?
The IUPAC name of 6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane] (CID 12036427) is 6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane].
What is the SMILES notation for 6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane]?
The canonical SMILES for 6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane] is COc1ccc2c(c1)OC1(CCC(C)CC1)C2(C)C.
What is the InChIKey of 6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane]?
The InChIKey is CDZWCLOOXLOTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12-7-9-17(10-8-12)16(2,3)14-6-5-13(18-4)11-15(14)19-17/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane]?
6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane] has a molecular weight of 260.38 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane] is sourced from PubChem (CID 12036427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).