1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone

C28H30O — CID 129094192

IUPAC1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone
SMILESCCCC1(CCC)c2ccccc2-c2cccc(C(=O)Cc3ccccc3C)c21
InChIInChI=1S/C28H30O/c1-4-17-28(18-5-2)25-16-9-8-13-22(25)23-14-10-15-24(27(23)28)26(29)19-21-12-7-6-11-20(21)3/h6-16H,4-5,17-19H2,1-3H3
InChIKeyREOBKSSJOFKACM-UHFFFAOYSA-N
MW382.55 g/mol
LogP7.29
Rot. Bonds7

About 1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone

1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone (PubChem CID 129094192) has the molecular formula C28H30O and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone
PubChem CID129094192
Molecular FormulaC28H30O
Molecular Weight382.55 g/mol
Exact Mass382.23
IUPAC Name1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone
SMILESCCCC1(CCC)c2ccccc2-c2cccc(C(=O)Cc3ccccc3C)c21
InChIInChI=1S/C28H30O/c1-4-17-28(18-5-2)25-16-9-8-13-22(25)23-14-10-15-24(27(23)28)26(29)19-21-12-7-6-11-20(21)3/h6-16H,4-5,17-19H2,1-3H3
InChIKeyREOBKSSJOFKACM-UHFFFAOYSA-N
XLogP7.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(2-methylphenyl)ethanone
CID 11345119
1-(2-aminophenyl)-2-(2-methylphenyl)ethanone
CID 64832569
2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone
CID 79803189
1,2-dinitro-9,9-dipropylfluorene
CID 141452421
N-[bis[1-(2-methylphenyl)-7-nitro-9,9-dipropylfluoren-2-yl]methylidene]hydroxylamine
CID 129094210
2-(2-methylphenyl)-1-quinolin-5-ylethanone
CID 81220706
1-(2-ethylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812520
2-(2-methylphenyl)acetic acid
CID 67440217
(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methanone
CID 118371862
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one
CID 160541929

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone (CID 129094192) is 1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone is CCCC1(CCC)c2ccccc2-c2cccc(C(=O)Cc3ccccc3C)c21.
What is the InChIKey of 1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is REOBKSSJOFKACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O/c1-4-17-28(18-5-2)25-16-9-8-13-22(25)23-14-10-15-24(27(23)28)26(29)19-21-12-7-6-11-20(21)3/h6-16H,4-5,17-19H2,1-3H3.
What are the key properties of 1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone?
1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 382.55 g/mol, XLogP of 7.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 129094192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).