6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one

C14H18O3 — CID 14997890

IUPAC6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC(C)C)CC(C)C2=O
InChIInChI=1S/C14H18O3/c1-8(2)17-13-6-10-5-9(3)14(15)11(10)7-12(13)16-4/h6-9H,5H2,1-4H3
InChIKeyLTSJAOJBDFVFJN-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.86
Rot. Bonds3

About 6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one

6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one (PubChem CID 14997890) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one
PubChem CID14997890
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC(C)C)CC(C)C2=O
InChIInChI=1S/C14H18O3/c1-8(2)17-13-6-10-5-9(3)14(15)11(10)7-12(13)16-4/h6-9H,5H2,1-4H3
InChIKeyLTSJAOJBDFVFJN-UHFFFAOYSA-N
XLogP2.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethoxy-3-methoxybenzaldehyde
CID 67116
1-Propanone, 1-(3,4-dimethoxyphenyl)-
CID 15781
3,4-Dimethoxyphenyl methyl ketone
CID 14328
5,6-Dimethoxy-1-indanone
CID 75018
Roflupram
CID 25147798
1,4-Benzodioxan-6-yl methyl ketone
CID 76143
Ethanone, 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-
CID 3038641
3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone
CID 266816
4'-Acetylbenzo-18-crown 6-Ether
CID 3660800
3,4-Diethoxybenzaldehyde
CID 74847
1-(4-Benzyloxy-3-methoxy-phenyl)-ethanone
CID 99215
3-(2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl)pentan-2-one
CID 85853

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one?
The IUPAC name of 6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one (CID 14997890) is 6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one?
The canonical SMILES for 6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one is COc1cc2c(cc1OC(C)C)CC(C)C2=O.
What is the InChIKey of 6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one?
The InChIKey is LTSJAOJBDFVFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-8(2)17-13-6-10-5-9(3)14(15)11(10)7-12(13)16-4/h6-9H,5H2,1-4H3.
What are the key properties of 6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one?
6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one has a molecular weight of 234.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-5-propan-2-yloxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 14997890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).