1-methoxy-7a-methylindene

C11H12O — CID 12638178

IUPAC1-methoxy-7a-methylindene
SMILESCOC1=CC=C2C=CC=CC21C
InChIInChI=1S/C11H12O/c1-11-8-4-3-5-9(11)6-7-10(11)12-2/h3-8H,1-2H3
InChIKeyHIDZPFIWJCTLAX-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.59
Rot. Bonds1

About 1-methoxy-7a-methylindene

1-methoxy-7a-methylindene (PubChem CID 12638178) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-methoxy-7a-methylindene.

Molecular Properties

Compound Name1-methoxy-7a-methylindene
PubChem CID12638178
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name1-methoxy-7a-methylindene
SMILESCOC1=CC=C2C=CC=CC21C
InChIInChI=1S/C11H12O/c1-11-8-4-3-5-9(11)6-7-10(11)12-2/h3-8H,1-2H3
InChIKeyHIDZPFIWJCTLAX-UHFFFAOYSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3a,4-Dihydro-1-benzofuran
CID 21895326
4-Methyl-3a,4-dihydro-1-benzofuran
CID 22928942
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7a-methylindene?
The IUPAC name of 1-methoxy-7a-methylindene (CID 12638178) is 1-methoxy-7a-methylindene.
What is the SMILES notation for 1-methoxy-7a-methylindene?
The canonical SMILES for 1-methoxy-7a-methylindene is COC1=CC=C2C=CC=CC21C.
What is the InChIKey of 1-methoxy-7a-methylindene?
The InChIKey is HIDZPFIWJCTLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-11-8-4-3-5-9(11)6-7-10(11)12-2/h3-8H,1-2H3.
What are the key properties of 1-methoxy-7a-methylindene?
1-methoxy-7a-methylindene has a molecular weight of 160.22 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7a-methylindene is sourced from PubChem (CID 12638178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).