2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate

C18H17Cl2O4- — CID 20520803

IUPAC2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate
SMILESCCCC12Cc3cc(OCC(=O)[O-])ccc3C1=CC(=O)C(Cl)C2Cl
InChIInChI=1S/C18H18Cl2O4/c1-2-5-18-8-10-6-11(24-9-15(22)23)3-4-12(10)13(18)7-14(21)16(19)17(18)20/h3-4,6-7,16-17H,2,5,8-9H2,1H3,(H,22,23)/p-1
InChIKeyKMPFBCFTDMLIKD-UHFFFAOYSA-M
MW368.24 g/mol
LogP2.34
Rot. Bonds5

About 2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate

2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate (PubChem CID 20520803) has the molecular formula C18H17Cl2O4- and a molecular weight of 368.24 g/mol. Its IUPAC name is 2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate.

Molecular Properties

Compound Name2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate
PubChem CID20520803
Molecular FormulaC18H17Cl2O4-
Molecular Weight368.24 g/mol
Exact Mass367.05
IUPAC Name2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate
SMILESCCCC12Cc3cc(OCC(=O)[O-])ccc3C1=CC(=O)C(Cl)C2Cl
InChIInChI=1S/C18H18Cl2O4/c1-2-5-18-8-10-6-11(24-9-15(22)23)3-4-12(10)13(18)7-14(21)16(19)17(18)20/h3-4,6-7,16-17H,2,5,8-9H2,1H3,(H,22,23)/p-1
InChIKeyKMPFBCFTDMLIKD-UHFFFAOYSA-M
XLogP2.34
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate?
The IUPAC name of 2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate (CID 20520803) is 2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate.
What is the SMILES notation for 2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate?
The canonical SMILES for 2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate is CCCC12Cc3cc(OCC(=O)[O-])ccc3C1=CC(=O)C(Cl)C2Cl.
What is the InChIKey of 2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate?
The InChIKey is KMPFBCFTDMLIKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H18Cl2O4/c1-2-5-18-8-10-6-11(24-9-15(22)23)3-4-12(10)13(18)7-14(21)16(19)17(18)20/h3-4,6-7,16-17H,2,5,8-9H2,1H3,(H,22,23)/p-1.
What are the key properties of 2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate?
2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate has a molecular weight of 368.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7,8-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetate is sourced from PubChem (CID 20520803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).