6-chloro-2,3-dipropylinden-1-one

C15H17ClO — CID 10490816

IUPAC6-chloro-2,3-dipropylinden-1-one
SMILESCCCC1=C(CCC)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C15H17ClO/c1-3-5-11-12-8-7-10(16)9-14(12)15(17)13(11)6-4-2/h7-9H,3-6H2,1-2H3
InChIKeyFMLDJYWZOTVXPJ-UHFFFAOYSA-N
MW248.75 g/mol
LogP4.89
Rot. Bonds4

About 6-chloro-2,3-dipropylinden-1-one

6-chloro-2,3-dipropylinden-1-one (PubChem CID 10490816) has the molecular formula C15H17ClO and a molecular weight of 248.75 g/mol. Its IUPAC name is 6-chloro-2,3-dipropylinden-1-one.

Molecular Properties

Compound Name6-chloro-2,3-dipropylinden-1-one
PubChem CID10490816
Molecular FormulaC15H17ClO
Molecular Weight248.75 g/mol
Exact Mass248.10
IUPAC Name6-chloro-2,3-dipropylinden-1-one
SMILESCCCC1=C(CCC)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C15H17ClO/c1-3-5-11-12-8-7-10(16)9-14(12)15(17)13(11)6-4-2/h7-9H,3-6H2,1-2H3
InChIKeyFMLDJYWZOTVXPJ-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dipropylinden-1-one?
The IUPAC name of 6-chloro-2,3-dipropylinden-1-one (CID 10490816) is 6-chloro-2,3-dipropylinden-1-one.
What is the SMILES notation for 6-chloro-2,3-dipropylinden-1-one?
The canonical SMILES for 6-chloro-2,3-dipropylinden-1-one is CCCC1=C(CCC)c2ccc(Cl)cc2C1=O.
What is the InChIKey of 6-chloro-2,3-dipropylinden-1-one?
The InChIKey is FMLDJYWZOTVXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO/c1-3-5-11-12-8-7-10(16)9-14(12)15(17)13(11)6-4-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 6-chloro-2,3-dipropylinden-1-one?
6-chloro-2,3-dipropylinden-1-one has a molecular weight of 248.75 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dipropylinden-1-one is sourced from PubChem (CID 10490816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).