6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene

C12H14O — CID 90201598

IUPAC6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene
SMILESCOc1cccc2c1CC1CCC21
InChIInChI=1S/C12H14O/c1-13-12-4-2-3-10-9-6-5-8(9)7-11(10)12/h2-4,8-9H,5-7H2,1H3
InChIKeyFJPXQDYPALJKTM-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.74
Rot. Bonds1

About 6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene

6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene (PubChem CID 90201598) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene.

Molecular Properties

Compound Name6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene
PubChem CID90201598
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene
SMILESCOc1cccc2c1CC1CCC21
InChIInChI=1S/C12H14O/c1-13-12-4-2-3-10-9-6-5-8(9)7-11(10)12/h2-4,8-9H,5-7H2,1H3
InChIKeyFJPXQDYPALJKTM-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene with MolForge

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Related Compounds

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4-methoxy-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726670
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63822286
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63820817
1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole
CID 84733977
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
(3aR,9aR)-5-methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]isoindole
CID 11030912
8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one
CID 135041499
(5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620615
7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 102056354
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene?
The IUPAC name of 6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene (CID 90201598) is 6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene.
What is the SMILES notation for 6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene?
The canonical SMILES for 6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene is COc1cccc2c1CC1CCC21.
What is the InChIKey of 6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene?
The InChIKey is FJPXQDYPALJKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-13-12-4-2-3-10-9-6-5-8(9)7-11(10)12/h2-4,8-9H,5-7H2,1H3.
What are the key properties of 6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene?
6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene has a molecular weight of 174.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene is sourced from PubChem (CID 90201598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).