1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one

C25H32O2 — CID 174854345

IUPAC1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one
SMILESCCCCC(CC)CC(=O)c1ccc2c(c1C)C(OCC)c1ccccc1-2
InChIInChI=1S/C25H32O2/c1-5-8-11-18(6-2)16-23(26)19-14-15-21-20-12-9-10-13-22(20)25(27-7-3)24(21)17(19)4/h9-10,12-15,18,25H,5-8,11,16H2,1-4H3
InChIKeyBXTDMWANEVWCFE-UHFFFAOYSA-N
MW364.53 g/mol
LogP6.89
Rot. Bonds9

About 1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one

1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one (PubChem CID 174854345) has the molecular formula C25H32O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one.

Molecular Properties

Compound Name1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one
PubChem CID174854345
Molecular FormulaC25H32O2
Molecular Weight364.53 g/mol
Exact Mass364.24
IUPAC Name1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one
SMILESCCCCC(CC)CC(=O)c1ccc2c(c1C)C(OCC)c1ccccc1-2
InChIInChI=1S/C25H32O2/c1-5-8-11-18(6-2)16-23(26)19-14-15-21-20-12-9-10-13-22(20)25(27-7-3)24(21)17(19)4/h9-10,12-15,18,25H,5-8,11,16H2,1-4H3
InChIKeyBXTDMWANEVWCFE-UHFFFAOYSA-N
XLogP6.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9-butoxy-1-methyl-9H-fluoren-2-yl)decan-1-one
CID 174733550
1-(3-chloro-2-methylphenyl)-3-ethylheptan-1-one
CID 107101520
3-ethyl-1-(2-fluoro-3-methylphenyl)heptan-1-one
CID 114963769
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-1-one
CID 64986591
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
9-hexan-2-yloxy-9H-fluorene
CID 126552429
4-O,5-O-diethyl 1-O,2-O-bis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
CID 50905906
1-(2,5-dimethoxyphenyl)-3-ethylheptan-1-one
CID 114963735
1-O-(2-ethyldecyl) 2-O-(2-ethylundecyl) benzene-1,2-dicarboxylate
CID 44589518
bis(2-ethyldecyl) benzene-1,2-dicarboxylate
CID 18462811
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate
CID 141437716

Frequently Asked Questions

What is the IUPAC name of 1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one?
The IUPAC name of 1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one (CID 174854345) is 1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one.
What is the SMILES notation for 1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one?
The canonical SMILES for 1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one is CCCCC(CC)CC(=O)c1ccc2c(c1C)C(OCC)c1ccccc1-2.
What is the InChIKey of 1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one?
The InChIKey is BXTDMWANEVWCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O2/c1-5-8-11-18(6-2)16-23(26)19-14-15-21-20-12-9-10-13-22(20)25(27-7-3)24(21)17(19)4/h9-10,12-15,18,25H,5-8,11,16H2,1-4H3.
What are the key properties of 1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one?
1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one has a molecular weight of 364.53 g/mol, XLogP of 6.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethoxy-1-methyl-9H-fluoren-2-yl)-3-ethylheptan-1-one is sourced from PubChem (CID 174854345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).