3-chloro-10,10-dimethylanthracen-1-one

C16H13ClO — CID 163216725

IUPAC3-chloro-10,10-dimethylanthracen-1-one
SMILESCC1(C)C2=CC(Cl)=CC(=O)C2=Cc2ccccc21
InChIInChI=1S/C16H13ClO/c1-16(2)13-6-4-3-5-10(13)7-12-14(16)8-11(17)9-15(12)18/h3-9H,1-2H3
InChIKeyNDIDZFMNIQOJED-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.99
Rot. Bonds

About 3-chloro-10,10-dimethylanthracen-1-one

3-chloro-10,10-dimethylanthracen-1-one (PubChem CID 163216725) has the molecular formula C16H13ClO and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-chloro-10,10-dimethylanthracen-1-one.

Molecular Properties

Compound Name3-chloro-10,10-dimethylanthracen-1-one
PubChem CID163216725
Molecular FormulaC16H13ClO
Molecular Weight256.73 g/mol
Exact Mass256.07
IUPAC Name3-chloro-10,10-dimethylanthracen-1-one
SMILESCC1(C)C2=CC(Cl)=CC(=O)C2=Cc2ccccc21
InChIInChI=1S/C16H13ClO/c1-16(2)13-6-4-3-5-10(13)7-12-14(16)8-11(17)9-15(12)18/h3-9H,1-2H3
InChIKeyNDIDZFMNIQOJED-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-10,10-dimethylanthracen-1-one?
The IUPAC name of 3-chloro-10,10-dimethylanthracen-1-one (CID 163216725) is 3-chloro-10,10-dimethylanthracen-1-one.
What is the SMILES notation for 3-chloro-10,10-dimethylanthracen-1-one?
The canonical SMILES for 3-chloro-10,10-dimethylanthracen-1-one is CC1(C)C2=CC(Cl)=CC(=O)C2=Cc2ccccc21.
What is the InChIKey of 3-chloro-10,10-dimethylanthracen-1-one?
The InChIKey is NDIDZFMNIQOJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO/c1-16(2)13-6-4-3-5-10(13)7-12-14(16)8-11(17)9-15(12)18/h3-9H,1-2H3.
What are the key properties of 3-chloro-10,10-dimethylanthracen-1-one?
3-chloro-10,10-dimethylanthracen-1-one has a molecular weight of 256.73 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-10,10-dimethylanthracen-1-one is sourced from PubChem (CID 163216725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).