1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one

C25H32O2 — CID 150898023

IUPAC1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one
SMILESCCOC1(C(=O)CCCCCC(C)C)c2ccccc2-c2cccc(C)c21
InChIInChI=1S/C25H32O2/c1-5-27-25(23(26)17-8-6-7-12-18(2)3)22-16-10-9-14-20(22)21-15-11-13-19(4)24(21)25/h9-11,13-16,18H,5-8,12,17H2,1-4H3
InChIKeyKZKJTVIHETUFFM-UHFFFAOYSA-N
MW364.53 g/mol
LogP6.43
Rot. Bonds9

About 1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one

1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one (PubChem CID 150898023) has the molecular formula C25H32O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one.

Molecular Properties

Compound Name1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one
PubChem CID150898023
Molecular FormulaC25H32O2
Molecular Weight364.53 g/mol
Exact Mass364.24
IUPAC Name1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one
SMILESCCOC1(C(=O)CCCCCC(C)C)c2ccccc2-c2cccc(C)c21
InChIInChI=1S/C25H32O2/c1-5-27-25(23(26)17-8-6-7-12-18(2)3)22-16-10-9-14-20(22)21-15-11-13-19(4)24(21)25/h9-11,13-16,18H,5-8,12,17H2,1-4H3
InChIKeyKZKJTVIHETUFFM-UHFFFAOYSA-N
XLogP6.43
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 ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one
CID 160541929
1-(1-methyl-9-pentoxyfluoren-9-yl)pentan-1-one
CID 174651473
7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one
CID 67497818
1-(9-butoxy-1-methylfluoren-9-yl)ethanone
CID 174733642
18-methyl-1-phenylnonadecan-1-one
CID 141198244
9H-fluoren-9-ylmethyl 7-methyloctanoate
CID 167509149
1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one
CID 67498552
7-methyloctyl 9-(methoxymethyl)fluorene-9-carboxylate
CID 90407620
13-methyltetradecyl 9-(methoxymethyl)fluorene-9-carboxylate
CID 90407730
6-methyl-1-phenylheptan-1-one
CID 64505975
benzoic acid;16-methylheptadecanoic acid
CID 70376477
[2-(6-methylheptanoyloxy)-3-phenylphenyl] 6-methylheptanoate
CID 152710252

Frequently Asked Questions

What is the IUPAC name of 1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one?
The IUPAC name of 1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one (CID 150898023) is 1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one.
What is the SMILES notation for 1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one?
The canonical SMILES for 1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one is CCOC1(C(=O)CCCCCC(C)C)c2ccccc2-c2cccc(C)c21.
What is the InChIKey of 1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one?
The InChIKey is KZKJTVIHETUFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O2/c1-5-27-25(23(26)17-8-6-7-12-18(2)3)22-16-10-9-14-20(22)21-15-11-13-19(4)24(21)25/h9-11,13-16,18H,5-8,12,17H2,1-4H3.
What are the key properties of 1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one?
1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one has a molecular weight of 364.53 g/mol, XLogP of 6.43, 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-methylfluoren-9-yl)-7-methyloctan-1-one is sourced from PubChem (CID 150898023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).