5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one

C17H20O2 — CID 137384793

IUPAC5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one
SMILESCOC1=C(C)C(c2ccc3c(c2)CCC3=O)CC1C
InChIInChI=1S/C17H20O2/c1-10-8-15(11(2)17(10)19-3)13-4-6-14-12(9-13)5-7-16(14)18/h4,6,9-10,15H,5,7-8H2,1-3H3
InChIKeyZCNCNNAWVIAVLD-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.86
Rot. Bonds2

About 5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one

5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one (PubChem CID 137384793) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one
PubChem CID137384793
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one
SMILESCOC1=C(C)C(c2ccc3c(c2)CCC3=O)CC1C
InChIInChI=1S/C17H20O2/c1-10-8-15(11(2)17(10)19-3)13-4-6-14-12(9-13)5-7-16(14)18/h4,6,9-10,15H,5,7-8H2,1-3H3
InChIKeyZCNCNNAWVIAVLD-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
2-(4-methylphenyl)-2,3,6,7-tetrahydro-s-indacene-1,5-dione
CID 175561918
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684168
5-bromo-2,3-dihydroinden-1-one
CID 161015201
3-methoxy-2,4,6-trimethylcyclohex-2-en-1-one
CID 581132
[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenyl] acetate
CID 89420952
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one
CID 158259369
7-methoxy-4-(1-oxo-2,3-dihydroinden-5-yl)-1,3-dihydroindol-2-one
CID 154848998
5-nitroso-2,3-dihydroinden-1-one
CID 148830784
5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one
CID 104982128

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one (CID 137384793) is 5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one is COC1=C(C)C(c2ccc3c(c2)CCC3=O)CC1C.
What is the InChIKey of 5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one?
The InChIKey is ZCNCNNAWVIAVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-10-8-15(11(2)17(10)19-3)13-4-6-14-12(9-13)5-7-16(14)18/h4,6,9-10,15H,5,7-8H2,1-3H3.
What are the key properties of 5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one?
5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one has a molecular weight of 256.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-2,4-dimethylcyclopent-2-en-1-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 137384793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).