4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one

C17H16O2 — CID 55025444

IUPAC4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one
SMILESCc1cccc(COc2cccc3c2CCC3=O)c1
InChIInChI=1S/C17H16O2/c1-12-4-2-5-13(10-12)11-19-17-7-3-6-14-15(17)8-9-16(14)18/h2-7,10H,8-9,11H2,1H3
InChIKeyDTBSYWSSUQKRSL-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.70
Rot. Bonds3

About 4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one

4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one (PubChem CID 55025444) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one
PubChem CID55025444
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one
SMILESCc1cccc(COc2cccc3c2CCC3=O)c1
InChIInChI=1S/C17H16O2/c1-12-4-2-5-13(10-12)11-19-17-7-3-6-14-15(17)8-9-16(14)18/h2-7,10H,8-9,11H2,1H3
InChIKeyDTBSYWSSUQKRSL-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 63090320
4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one
CID 24582197
2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide
CID 75526427
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 60705420
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196
4-(4,4-dimethylpentoxy)-2,3-dihydroinden-1-one
CID 114209493
2-[(3-methylphenyl)methyl]-5-propoxy-3,4-dihydroisoquinolin-1-one
CID 2152180
4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one
CID 60705449
5-butoxy-2-[(3-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152182
(5Z)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 16634014
7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one
CID 171619861

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one (CID 55025444) is 4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one is Cc1cccc(COc2cccc3c2CCC3=O)c1.
What is the InChIKey of 4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one?
The InChIKey is DTBSYWSSUQKRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-12-4-2-5-13(10-12)11-19-17-7-3-6-14-15(17)8-9-16(14)18/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one?
4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one has a molecular weight of 252.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 55025444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).