5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one

C12H16O2 — CID 163215039

IUPAC5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one
SMILESCOC1C=CC2=C(C1)CC(C)(C)C2=O
InChIInChI=1S/C12H16O2/c1-12(2)7-8-6-9(14-3)4-5-10(8)11(12)13/h4-5,9H,6-7H2,1-3H3
InChIKeyOONCREZMNNHXFS-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.26
Rot. Bonds1

About 5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one

5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one (PubChem CID 163215039) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one.

Molecular Properties

Compound Name5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one
PubChem CID163215039
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one
SMILESCOC1C=CC2=C(C1)CC(C)(C)C2=O
InChIInChI=1S/C12H16O2/c1-12(2)7-8-6-9(14-3)4-5-10(8)11(12)13/h4-5,9H,6-7H2,1-3H3
InChIKeyOONCREZMNNHXFS-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 162965014
2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one
CID 112714246
7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one
CID 14873448
2,5-dimethoxycyclohexa-1,3-diene
CID 13404344
(2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone
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4,7-dimethoxy-2,2-dimethyl-3H-inden-1-one
CID 18614118

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one?
The IUPAC name of 5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one (CID 163215039) is 5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one.
What is the SMILES notation for 5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one?
The canonical SMILES for 5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one is COC1C=CC2=C(C1)CC(C)(C)C2=O.
What is the InChIKey of 5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one?
The InChIKey is OONCREZMNNHXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-12(2)7-8-6-9(14-3)4-5-10(8)11(12)13/h4-5,9H,6-7H2,1-3H3.
What are the key properties of 5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one?
5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2-dimethyl-4,5-dihydro-3H-inden-1-one is sourced from PubChem (CID 163215039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).