4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one

C11H14O2 — CID 121217606

IUPAC4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one
SMILESCOC1=C2CCCC2(C)C=CC1=O
InChIInChI=1S/C11H14O2/c1-11-6-3-4-8(11)10(13-2)9(12)5-7-11/h5,7H,3-4,6H2,1-2H3
InChIKeyJAAFPQZQZJRZFV-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.22
Rot. Bonds1

About 4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one

4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one (PubChem CID 121217606) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one.

Molecular Properties

Compound Name4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one
PubChem CID121217606
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one
SMILESCOC1=C2CCCC2(C)C=CC1=O
InChIInChI=1S/C11H14O2/c1-11-6-3-4-8(11)10(13-2)9(12)5-7-11/h5,7H,3-4,6H2,1-2H3
InChIKeyJAAFPQZQZJRZFV-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-5-(2-methylbut-3-en-2-yl)cyclohexa-2,5-diene-1,4-dione
CID 334495
5-Tert-butyl-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 13351156
7-Methoxy-spiro[4.5]deca-6,9-dien-8-on
CID 129648485
10-Methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one
CID 166446963
10-Methoxy-4-methylidenespiro[4.5]deca-6,9-dien-8-one
CID 166446964
2-Tert-butyl-5-methoxycyclohexa-2,5-diene-1,4-dione
CID 14949977
10-Methoxyspiro[4.5]deca-6,9-dien-8-one
CID 45116909
4-Methoxy-9,10-dimethylspiro[5.5]undeca-1,4,9-trien-3-one
CID 102438550

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one?
The IUPAC name of 4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one (CID 121217606) is 4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one.
What is the SMILES notation for 4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one?
The canonical SMILES for 4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one is COC1=C2CCCC2(C)C=CC1=O.
What is the InChIKey of 4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one?
The InChIKey is JAAFPQZQZJRZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11-6-3-4-8(11)10(13-2)9(12)5-7-11/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one?
4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one has a molecular weight of 178.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7a-methyl-2,3-dihydro-1H-inden-5-one is sourced from PubChem (CID 121217606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).