2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one

C25H30Cl2O7 — CID 6420971

IUPAC2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one
SMILESO=C1c2cc(OCCOCCOCCCl)ccc2-c2ccc(OCCOCCOCCCl)cc21
InChIInChI=1S/C25H30Cl2O7/c26-5-7-29-9-11-31-13-15-33-19-1-3-21-22-4-2-20(18-24(22)25(28)23(21)17-19)34-16-14-32-12-10-30-8-6-27/h1-4,17-18H,5-16H2
InChIKeyXUECJUMFSQEXMQ-UHFFFAOYSA-N
MW513.41 g/mol
LogP4.20
Rot. Bonds18

About 2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one

2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one (PubChem CID 6420971) has the molecular formula C25H30Cl2O7 and a molecular weight of 513.41 g/mol. Its IUPAC name is 2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one
PubChem CID6420971
Molecular FormulaC25H30Cl2O7
Molecular Weight513.41 g/mol
Exact Mass512.14
IUPAC Name2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one
SMILESO=C1c2cc(OCCOCCOCCCl)ccc2-c2ccc(OCCOCCOCCCl)cc21
InChIInChI=1S/C25H30Cl2O7/c26-5-7-29-9-11-31-13-15-33-19-1-3-21-22-4-2-20(18-24(22)25(28)23(21)17-19)34-16-14-32-12-10-30-8-6-27/h1-4,17-18H,5-16H2
InChIKeyXUECJUMFSQEXMQ-UHFFFAOYSA-N
XLogP4.20
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene
CID 10554662
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anthracene-9,10-dione
CID 22315906
5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione
CID 101165198
2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
2-(12-docosoxydodecoxy)fluoren-9-one
CID 66718989
4-[7-[4-[diethyl(methyl)azaniumyl]butoxy]-9-oxofluoren-2-yl]oxybutyl-diethyl-methylazanium iodide
CID 16681825
2-[9,10-dioxo-6-(2-sulfoethoxy)anthracen-2-yl]oxyethanesulfonic acid
CID 142419389
4-[2-(2-chloroethoxy)ethoxy]benzamide
CID 63664208
trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium
CID 57439338
2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride
CID 139146275
1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene
CID 63665426
3,6-bis(3-aminopropoxy)fluoren-9-one
CID 57439340

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one?
The IUPAC name of 2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one (CID 6420971) is 2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one.
What is the SMILES notation for 2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one?
The canonical SMILES for 2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one is O=C1c2cc(OCCOCCOCCCl)ccc2-c2ccc(OCCOCCOCCCl)cc21.
What is the InChIKey of 2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one?
The InChIKey is XUECJUMFSQEXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2O7/c26-5-7-29-9-11-31-13-15-33-19-1-3-21-22-4-2-20(18-24(22)25(28)23(21)17-19)34-16-14-32-12-10-30-8-6-27/h1-4,17-18H,5-16H2.
What are the key properties of 2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one?
2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one has a molecular weight of 513.41 g/mol, XLogP of 4.20, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one is sourced from PubChem (CID 6420971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).