5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one

C21H20O2 — CID 138963859

IUPAC5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one
SMILESCOc1ccc2c(c1)C(C)(C)CC21C(=O)C=Cc2ccccc21
InChIInChI=1S/C21H20O2/c1-20(2)13-21(17-10-9-15(23-3)12-18(17)20)16-7-5-4-6-14(16)8-11-19(21)22/h4-12H,13H2,1-3H3
InChIKeyCXZVTIFBLALYKC-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.26
Rot. Bonds1

About 5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one

5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one (PubChem CID 138963859) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one.

Molecular Properties

Compound Name5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one
PubChem CID138963859
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one
SMILESCOc1ccc2c(c1)C(C)(C)CC21C(=O)C=Cc2ccccc21
InChIInChI=1S/C21H20O2/c1-20(2)13-21(17-10-9-15(23-3)12-18(17)20)16-7-5-4-6-14(16)8-11-19(21)22/h4-12H,13H2,1-3H3
InChIKeyCXZVTIFBLALYKC-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 125494447
(1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one
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5-methoxy-3-(4-methoxyphenyl)-1,1,3-trimethyl-2H-indene
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1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one
CID 10635749
6,7-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,1'-naphthalene]-2'-one
CID 15684122
2-hydroxy-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-3H-naphthalen-1-one
CID 11955883
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid
CID 14343895
2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 44726409
1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene
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1-inden-1-ylidene-6-methoxyindene
CID 85420344
1-ethylsulfanyl-5'-methoxyspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one
CID 58629970

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one?
The IUPAC name of 5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one (CID 138963859) is 5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one.
What is the SMILES notation for 5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one?
The canonical SMILES for 5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one is COc1ccc2c(c1)C(C)(C)CC21C(=O)C=Cc2ccccc21.
What is the InChIKey of 5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one?
The InChIKey is CXZVTIFBLALYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-20(2)13-21(17-10-9-15(23-3)12-18(17)20)16-7-5-4-6-14(16)8-11-19(21)22/h4-12H,13H2,1-3H3.
What are the key properties of 5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one?
5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one has a molecular weight of 304.39 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one is sourced from PubChem (CID 138963859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).