1-chloro-10-methylideneanthracen-9-one

C15H9ClO — CID 154097913

IUPAC1-chloro-10-methylideneanthracen-9-one
SMILESC=C1c2ccccc2C(=O)c2c(Cl)cccc21
InChIInChI=1S/C15H9ClO/c1-9-10-5-2-3-6-12(10)15(17)14-11(9)7-4-8-13(14)16/h2-8H,1H2
InChIKeyKAABYCJMWRUNHP-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.95
Rot. Bonds

About 1-chloro-10-methylideneanthracen-9-one

1-chloro-10-methylideneanthracen-9-one (PubChem CID 154097913) has the molecular formula C15H9ClO and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-chloro-10-methylideneanthracen-9-one.

Molecular Properties

Compound Name1-chloro-10-methylideneanthracen-9-one
PubChem CID154097913
Molecular FormulaC15H9ClO
Molecular Weight240.69 g/mol
Exact Mass240.03
IUPAC Name1-chloro-10-methylideneanthracen-9-one
SMILESC=C1c2ccccc2C(=O)c2c(Cl)cccc21
InChIInChI=1S/C15H9ClO/c1-9-10-5-2-3-6-12(10)15(17)14-11(9)7-4-8-13(14)16/h2-8H,1H2
InChIKeyKAABYCJMWRUNHP-UHFFFAOYSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-10-methylideneanthracen-9-one?
The IUPAC name of 1-chloro-10-methylideneanthracen-9-one (CID 154097913) is 1-chloro-10-methylideneanthracen-9-one.
What is the SMILES notation for 1-chloro-10-methylideneanthracen-9-one?
The canonical SMILES for 1-chloro-10-methylideneanthracen-9-one is C=C1c2ccccc2C(=O)c2c(Cl)cccc21.
What is the InChIKey of 1-chloro-10-methylideneanthracen-9-one?
The InChIKey is KAABYCJMWRUNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO/c1-9-10-5-2-3-6-12(10)15(17)14-11(9)7-4-8-13(14)16/h2-8H,1H2.
What are the key properties of 1-chloro-10-methylideneanthracen-9-one?
1-chloro-10-methylideneanthracen-9-one has a molecular weight of 240.69 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-10-methylideneanthracen-9-one is sourced from PubChem (CID 154097913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).