1-ethyl-5-methoxy-1,3-dihydroinden-2-one

C12H14O2 — CID 14640419

IUPAC1-ethyl-5-methoxy-1,3-dihydroinden-2-one
SMILESCCC1C(=O)Cc2cc(OC)ccc21
InChIInChI=1S/C12H14O2/c1-3-10-11-5-4-9(14-2)6-8(11)7-12(10)13/h4-6,10H,3,7H2,1-2H3
InChIKeyRJSAUPWSXYNPAA-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.31
Rot. Bonds2

About 1-ethyl-5-methoxy-1,3-dihydroinden-2-one

1-ethyl-5-methoxy-1,3-dihydroinden-2-one (PubChem CID 14640419) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-ethyl-5-methoxy-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name1-ethyl-5-methoxy-1,3-dihydroinden-2-one
PubChem CID14640419
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-ethyl-5-methoxy-1,3-dihydroinden-2-one
SMILESCCC1C(=O)Cc2cc(OC)ccc21
InChIInChI=1S/C12H14O2/c1-3-10-11-5-4-9(14-2)6-8(11)7-12(10)13/h4-6,10H,3,7H2,1-2H3
InChIKeyRJSAUPWSXYNPAA-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 123530237
5-methoxy-1-phenyl-1,3-dihydroinden-2-one
CID 14640420
7-methoxy-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one
CID 14613768
2-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylethanamine
CID 83985302
(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide
CID 25139016
3-(6-fluoro-13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)propanoic acid
CID 83985242
3-(5,6-difluoro-13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)propanoic acid
CID 83985211
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
CID 66350309
1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine
CID 83985301
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10845865
4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one
CID 105458950

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methoxy-1,3-dihydroinden-2-one?
The IUPAC name of 1-ethyl-5-methoxy-1,3-dihydroinden-2-one (CID 14640419) is 1-ethyl-5-methoxy-1,3-dihydroinden-2-one.
What is the SMILES notation for 1-ethyl-5-methoxy-1,3-dihydroinden-2-one?
The canonical SMILES for 1-ethyl-5-methoxy-1,3-dihydroinden-2-one is CCC1C(=O)Cc2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-5-methoxy-1,3-dihydroinden-2-one?
The InChIKey is RJSAUPWSXYNPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-10-11-5-4-9(14-2)6-8(11)7-12(10)13/h4-6,10H,3,7H2,1-2H3.
What are the key properties of 1-ethyl-5-methoxy-1,3-dihydroinden-2-one?
1-ethyl-5-methoxy-1,3-dihydroinden-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methoxy-1,3-dihydroinden-2-one is sourced from PubChem (CID 14640419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).