2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone

C18H18O2 — CID 150180043

IUPAC2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone
SMILESCc1cc2c(c(OCC(=O)c3ccccc3)c1)CCC2
InChIInChI=1S/C18H18O2/c1-13-10-15-8-5-9-16(15)18(11-13)20-12-17(19)14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKeyFLFJOYNYNNCYAN-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.75
Rot. Bonds4

About 2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone

2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone (PubChem CID 150180043) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone.

Molecular Properties

Compound Name2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone
PubChem CID150180043
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone
SMILESCc1cc2c(c(OCC(=O)c3ccccc3)c1)CCC2
InChIInChI=1S/C18H18O2/c1-13-10-15-8-5-9-16(15)18(11-13)20-12-17(19)14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKeyFLFJOYNYNNCYAN-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone
CID 167431129
2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone
CID 43426881
2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654
2-[(1-benzyl-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl)oxy]acetic acid
CID 22268689
3-methyl-1-[2-(4-methylphenyl)-2-oxoethoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 1187308
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
(2-phenacyloxyphenyl) acetate
CID 2303836
methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 151712376
2-phenacyloxybenzoic acid
CID 23764826
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone?
The IUPAC name of 2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone (CID 150180043) is 2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone.
What is the SMILES notation for 2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone?
The canonical SMILES for 2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone is Cc1cc2c(c(OCC(=O)c3ccccc3)c1)CCC2.
What is the InChIKey of 2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone?
The InChIKey is FLFJOYNYNNCYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13-10-15-8-5-9-16(15)18(11-13)20-12-17(19)14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3.
What are the key properties of 2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone?
2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone has a molecular weight of 266.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone is sourced from PubChem (CID 150180043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).