7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]

C16H22O — CID 118314467

IUPAC7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]
SMILESCOc1cccc2c1CCC21CCC(C)CC1
InChIInChI=1S/C16H22O/c1-12-6-9-16(10-7-12)11-8-13-14(16)4-3-5-15(13)17-2/h3-5,12H,6-11H2,1-2H3
InChIKeyMYOCMCRTBIXLSN-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.09
Rot. Bonds1

About 7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]

7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane] (PubChem CID 118314467) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane].

Molecular Properties

Compound Name7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]
PubChem CID118314467
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]
SMILESCOc1cccc2c1CCC21CCC(C)CC1
InChIInChI=1S/C16H22O/c1-12-6-9-16(10-7-12)11-8-13-14(16)4-3-5-15(13)17-2/h3-5,12H,6-11H2,1-2H3
InChIKeyMYOCMCRTBIXLSN-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane] with MolForge

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Related Compounds

7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]
CID 118314453
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
1-(2-methoxyphenyl)-4-methylcyclohexan-1-amine
CID 60793795
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
CID 115010876
1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 18518702
(4aS)-8-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 14167541
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081298
8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]
CID 13270870
5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58951100
(3S,4S)-3-iodo-8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
CID 102114565
2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene
CID 24973163

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]?
The IUPAC name of 7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane] (CID 118314467) is 7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane].
What is the SMILES notation for 7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]?
The canonical SMILES for 7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane] is COc1cccc2c1CCC21CCC(C)CC1.
What is the InChIKey of 7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]?
The InChIKey is MYOCMCRTBIXLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-12-6-9-16(10-7-12)11-8-13-14(16)4-3-5-15(13)17-2/h3-5,12H,6-11H2,1-2H3.
What are the key properties of 7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]?
7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane] has a molecular weight of 230.35 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane] is sourced from PubChem (CID 118314467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).