1,5-dichloro-10-methylideneanthracen-9-one

C15H8Cl2O — CID 13129777

IUPAC1,5-dichloro-10-methylideneanthracen-9-one
SMILESC=C1c2cccc(Cl)c2C(=O)c2cccc(Cl)c21
InChIInChI=1S/C15H8Cl2O/c1-8-9-4-2-7-12(17)14(9)15(18)10-5-3-6-11(16)13(8)10/h2-7H,1H2
InChIKeyCEDCQSUVDBWDKO-UHFFFAOYSA-N
MW275.13 g/mol
LogP4.60
Rot. Bonds

About 1,5-dichloro-10-methylideneanthracen-9-one

1,5-dichloro-10-methylideneanthracen-9-one (PubChem CID 13129777) has the molecular formula C15H8Cl2O and a molecular weight of 275.13 g/mol. Its IUPAC name is 1,5-dichloro-10-methylideneanthracen-9-one.

Molecular Properties

Compound Name1,5-dichloro-10-methylideneanthracen-9-one
PubChem CID13129777
Molecular FormulaC15H8Cl2O
Molecular Weight275.13 g/mol
Exact Mass274.00
IUPAC Name1,5-dichloro-10-methylideneanthracen-9-one
SMILESC=C1c2cccc(Cl)c2C(=O)c2cccc(Cl)c21
InChIInChI=1S/C15H8Cl2O/c1-8-9-4-2-7-12(17)14(9)15(18)10-5-3-6-11(16)13(8)10/h2-7H,1H2
InChIKeyCEDCQSUVDBWDKO-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-10-methylideneanthracen-9-one?
The IUPAC name of 1,5-dichloro-10-methylideneanthracen-9-one (CID 13129777) is 1,5-dichloro-10-methylideneanthracen-9-one.
What is the SMILES notation for 1,5-dichloro-10-methylideneanthracen-9-one?
The canonical SMILES for 1,5-dichloro-10-methylideneanthracen-9-one is C=C1c2cccc(Cl)c2C(=O)c2cccc(Cl)c21.
What is the InChIKey of 1,5-dichloro-10-methylideneanthracen-9-one?
The InChIKey is CEDCQSUVDBWDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2O/c1-8-9-4-2-7-12(17)14(9)15(18)10-5-3-6-11(16)13(8)10/h2-7H,1H2.
What are the key properties of 1,5-dichloro-10-methylideneanthracen-9-one?
1,5-dichloro-10-methylideneanthracen-9-one has a molecular weight of 275.13 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-10-methylideneanthracen-9-one is sourced from PubChem (CID 13129777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).