2-butoxy-7-hexoxyfluoren-9-one

C23H28O3 — CID 6425371

IUPAC2-butoxy-7-hexoxyfluoren-9-one
SMILESCCCCCCOc1ccc2c(c1)C(=O)c1cc(OCCCC)ccc1-2
InChIInChI=1S/C23H28O3/c1-3-5-7-8-14-26-18-10-12-20-19-11-9-17(25-13-6-4-2)15-21(19)23(24)22(20)16-18/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyQSLNTYIAJSNKRU-UHFFFAOYSA-N
MW352.47 g/mol
LogP6.04
Rot. Bonds10

About 2-butoxy-7-hexoxyfluoren-9-one

2-butoxy-7-hexoxyfluoren-9-one (PubChem CID 6425371) has the molecular formula C23H28O3 and a molecular weight of 352.47 g/mol. Its IUPAC name is 2-butoxy-7-hexoxyfluoren-9-one.

Molecular Properties

Compound Name2-butoxy-7-hexoxyfluoren-9-one
PubChem CID6425371
Molecular FormulaC23H28O3
Molecular Weight352.47 g/mol
Exact Mass352.20
IUPAC Name2-butoxy-7-hexoxyfluoren-9-one
SMILESCCCCCCOc1ccc2c(c1)C(=O)c1cc(OCCCC)ccc1-2
InChIInChI=1S/C23H28O3/c1-3-5-7-8-14-26-18-10-12-20-19-11-9-17(25-13-6-4-2)15-21(19)23(24)22(20)16-18/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyQSLNTYIAJSNKRU-UHFFFAOYSA-N
XLogP6.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.47
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(12-docosoxydodecoxy)fluoren-9-one
CID 66718989
2-octadecoxytetracene-5,12-dione
CID 19812763
2-dodecoxy-6-hydroxyanthracene-9,10-dione
CID 71351025
2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one
CID 154339493
(2E)-5-dodecoxy-2-(hydroxymethylidene)indene-1,3-dione
CID 59879740
5-hexoxy-2-benzofuran-1,3-dione
CID 88840475
2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one
CID 171056031
4-[7-[4-[diethyl(methyl)azaniumyl]butoxy]-9-oxofluoren-2-yl]oxybutyl-diethyl-methylazanium iodide
CID 16681825
2,7-bis[(E)-2-(4-pentoxyphenyl)ethenyl]anthracene-9,10-dione
CID 122368079
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-7-hexoxyfluoren-9-one?
The IUPAC name of 2-butoxy-7-hexoxyfluoren-9-one (CID 6425371) is 2-butoxy-7-hexoxyfluoren-9-one.
What is the SMILES notation for 2-butoxy-7-hexoxyfluoren-9-one?
The canonical SMILES for 2-butoxy-7-hexoxyfluoren-9-one is CCCCCCOc1ccc2c(c1)C(=O)c1cc(OCCCC)ccc1-2.
What is the InChIKey of 2-butoxy-7-hexoxyfluoren-9-one?
The InChIKey is QSLNTYIAJSNKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O3/c1-3-5-7-8-14-26-18-10-12-20-19-11-9-17(25-13-6-4-2)15-21(19)23(24)22(20)16-18/h9-12,15-16H,3-8,13-14H2,1-2H3.
What are the key properties of 2-butoxy-7-hexoxyfluoren-9-one?
2-butoxy-7-hexoxyfluoren-9-one has a molecular weight of 352.47 g/mol, XLogP of 6.04, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-7-hexoxyfluoren-9-one is sourced from PubChem (CID 6425371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).