7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]

C14H18O2 — CID 118314453

IUPAC7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]
SMILESCOc1cccc2c1CCC21CCOCC1
InChIInChI=1S/C14H18O2/c1-15-13-4-2-3-12-11(13)5-6-14(12)7-9-16-10-8-14/h2-4H,5-10H2,1H3
InChIKeyKTSDFRLHTHPHRU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.69
Rot. Bonds1

About 7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]

7-methoxyspiro[1,2-dihydroindene-3,4'-oxane] (PubChem CID 118314453) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-methoxyspiro[1,2-dihydroindene-3,4'-oxane].

Molecular Properties

Compound Name7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]
PubChem CID118314453
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]
SMILESCOc1cccc2c1CCC21CCOCC1
InChIInChI=1S/C14H18O2/c1-15-13-4-2-3-12-11(13)5-6-14(12)7-9-16-10-8-14/h2-4H,5-10H2,1H3
InChIKeyKTSDFRLHTHPHRU-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methoxyspiro[1,2-dihydroindene-3,4'-oxane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]
CID 118314467
8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]
CID 13270870
2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid
CID 115057435
1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 18518702
1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide
CID 138010631
4-methoxyspiro[indene-1,3'-oxolane]
CID 118314490
4,7-dimethylspiro[1,2-dihydroindene-3,4'-oxane];ethane;methane
CID 144594027
(8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
CID 115057237
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
CID 115010876
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
(4aS)-8-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 14167541
5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58951100

Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]?
The IUPAC name of 7-methoxyspiro[1,2-dihydroindene-3,4'-oxane] (CID 118314453) is 7-methoxyspiro[1,2-dihydroindene-3,4'-oxane].
What is the SMILES notation for 7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]?
The canonical SMILES for 7-methoxyspiro[1,2-dihydroindene-3,4'-oxane] is COc1cccc2c1CCC21CCOCC1.
What is the InChIKey of 7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]?
The InChIKey is KTSDFRLHTHPHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-15-13-4-2-3-12-11(13)5-6-14(12)7-9-16-10-8-14/h2-4H,5-10H2,1H3.
What are the key properties of 7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]?
7-methoxyspiro[1,2-dihydroindene-3,4'-oxane] has a molecular weight of 218.30 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[1,2-dihydroindene-3,4'-oxane] is sourced from PubChem (CID 118314453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).