7-methylspiro[1,2-dihydroindene-3,2'-oxetane]

C12H14O — CID 84618324

IUPAC7-methylspiro[1,2-dihydroindene-3,2'-oxetane]
SMILESCc1cccc2c1CCC21CCO1
InChIInChI=1S/C12H14O/c1-9-3-2-4-11-10(9)5-6-12(11)7-8-13-12/h2-4H,5-8H2,1H3
InChIKeyORZJMXIBZNHAES-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.56
Rot. Bonds

About 7-methylspiro[1,2-dihydroindene-3,2'-oxetane]

7-methylspiro[1,2-dihydroindene-3,2'-oxetane] (PubChem CID 84618324) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 7-methylspiro[1,2-dihydroindene-3,2'-oxetane].

Molecular Properties

Compound Name7-methylspiro[1,2-dihydroindene-3,2'-oxetane]
PubChem CID84618324
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name7-methylspiro[1,2-dihydroindene-3,2'-oxetane]
SMILESCc1cccc2c1CCC21CCO1
InChIInChI=1S/C12H14O/c1-9-3-2-4-11-10(9)5-6-12(11)7-8-13-12/h2-4H,5-8H2,1H3
InChIKeyORZJMXIBZNHAES-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-oxetane]
CID 84619079
spiro[1,2-dihydroindene-3,2'-oxetane]
CID 84618292
7-iodo-4-methylspiro[1,2-dihydroindene-3,2'-oxetane]
CID 129143924
3-iodo-3-isothiocyanato-7-methyl-1,2-dihydroindene
CID 87609724
4-fluoro-8-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
CID 84736314
1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 105446199
3-(1,4-dimethyl-2,3-dihydroinden-1-yl)-1,2-oxazol-4-amine
CID 139770772
1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908872
8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]
CID 13270870
bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 91179603
4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413414
2-(2-bromo-3-methylphenyl)-2-methyl-1,3-dioxolane
CID 117061716

Frequently Asked Questions

What is the IUPAC name of 7-methylspiro[1,2-dihydroindene-3,2'-oxetane]?
The IUPAC name of 7-methylspiro[1,2-dihydroindene-3,2'-oxetane] (CID 84618324) is 7-methylspiro[1,2-dihydroindene-3,2'-oxetane].
What is the SMILES notation for 7-methylspiro[1,2-dihydroindene-3,2'-oxetane]?
The canonical SMILES for 7-methylspiro[1,2-dihydroindene-3,2'-oxetane] is Cc1cccc2c1CCC21CCO1.
What is the InChIKey of 7-methylspiro[1,2-dihydroindene-3,2'-oxetane]?
The InChIKey is ORZJMXIBZNHAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9-3-2-4-11-10(9)5-6-12(11)7-8-13-12/h2-4H,5-8H2,1H3.
What are the key properties of 7-methylspiro[1,2-dihydroindene-3,2'-oxetane]?
7-methylspiro[1,2-dihydroindene-3,2'-oxetane] has a molecular weight of 174.24 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylspiro[1,2-dihydroindene-3,2'-oxetane] is sourced from PubChem (CID 84618324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).