8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one

C18H11ClO2 — CID 21423380

IUPAC8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one
SMILESO=C1c2cccc(Cl)c2Cc2ccc3ccc(O)cc3c21
InChIInChI=1S/C18H11ClO2/c19-16-3-1-2-13-15(16)8-11-5-4-10-6-7-12(20)9-14(10)17(11)18(13)21/h1-7,9,20H,8H2
InChIKeyJMLICYWUZWPXGM-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.33
Rot. Bonds

About 8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one

8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one (PubChem CID 21423380) has the molecular formula C18H11ClO2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one.

Molecular Properties

Compound Name8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one
PubChem CID21423380
Molecular FormulaC18H11ClO2
Molecular Weight294.74 g/mol
Exact Mass294.04
IUPAC Name8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one
SMILESO=C1c2cccc(Cl)c2Cc2ccc3ccc(O)cc3c21
InChIInChI=1S/C18H11ClO2/c19-16-3-1-2-13-15(16)8-11-5-4-10-6-7-12(20)9-14(10)17(11)18(13)21/h1-7,9,20H,8H2
InChIKeyJMLICYWUZWPXGM-UHFFFAOYSA-N
XLogP4.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one?
The IUPAC name of 8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one (CID 21423380) is 8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one.
What is the SMILES notation for 8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one?
The canonical SMILES for 8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one is O=C1c2cccc(Cl)c2Cc2ccc3ccc(O)cc3c21.
What is the InChIKey of 8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one?
The InChIKey is JMLICYWUZWPXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClO2/c19-16-3-1-2-13-15(16)8-11-5-4-10-6-7-12(20)9-14(10)17(11)18(13)21/h1-7,9,20H,8H2.
What are the key properties of 8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one?
8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one has a molecular weight of 294.74 g/mol, XLogP of 4.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-hydroxy-7H-benzo[a]anthracen-12-one is sourced from PubChem (CID 21423380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).