1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone

C26H24O — CID 71233327

IUPAC1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(Cc2cccc(CC3=CCc4ccc(C)cc43)c2)c1
InChIInChI=1S/C26H24O/c1-18-9-10-23-11-12-25(26(23)13-18)17-22-6-3-5-20(15-22)14-21-7-4-8-24(16-21)19(2)27/h3-10,12-13,15-16H,11,14,17H2,1-2H3
InChIKeyMWICQUQXUGVYDH-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.97
Rot. Bonds5

About 1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone

1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone (PubChem CID 71233327) has the molecular formula C26H24O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone
PubChem CID71233327
Molecular FormulaC26H24O
Molecular Weight352.48 g/mol
Exact Mass352.18
IUPAC Name1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(Cc2cccc(CC3=CCc4ccc(C)cc43)c2)c1
InChIInChI=1S/C26H24O/c1-18-9-10-23-11-12-25(26(23)13-18)17-22-6-3-5-20(15-22)14-21-7-4-8-24(16-21)19(2)27/h3-10,12-13,15-16H,11,14,17H2,1-2H3
InChIKeyMWICQUQXUGVYDH-UHFFFAOYSA-N
XLogP5.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene
CID 123515554
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
CID 101265569
3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one
CID 167541272
1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
CID 10705500
3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene
CID 123849825
ethane;1-(3-methylphenyl)ethanone;molecular hydrogen
CID 143647766
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-[3-(sulfanylmethyl)phenyl]ethanone
CID 56991195
1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone
CID 54912743
1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one
CID 163630604
1-[3-[(2,5-dimethylpyrrol-1-yl)methyl]phenyl]ethanone
CID 135176722
[3-[[3-(3-methylbenzoyl)oxyphenyl]methyl]phenyl] 3-methylbenzoate
CID 54351534

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone (CID 71233327) is 1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone is CC(=O)c1cccc(Cc2cccc(CC3=CCc4ccc(C)cc43)c2)c1.
What is the InChIKey of 1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone?
The InChIKey is MWICQUQXUGVYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O/c1-18-9-10-23-11-12-25(26(23)13-18)17-22-6-3-5-20(15-22)14-21-7-4-8-24(16-21)19(2)27/h3-10,12-13,15-16H,11,14,17H2,1-2H3.
What are the key properties of 1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone?
1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone has a molecular weight of 352.48 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone is sourced from PubChem (CID 71233327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).