3-ethyl-1-hydroxy-10H-anthracen-9-one

C16H14O2 — CID 58923362

IUPAC3-ethyl-1-hydroxy-10H-anthracen-9-one
SMILESCCc1cc(O)c2c(c1)Cc1ccccc1C2=O
InChIInChI=1S/C16H14O2/c1-2-10-7-12-9-11-5-3-4-6-13(11)16(18)15(12)14(17)8-10/h3-8,17H,2,9H2,1H3
InChIKeyLANXOLRXQMGSAF-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.09
Rot. Bonds1

About 3-ethyl-1-hydroxy-10H-anthracen-9-one

3-ethyl-1-hydroxy-10H-anthracen-9-one (PubChem CID 58923362) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-ethyl-1-hydroxy-10H-anthracen-9-one.

Molecular Properties

Compound Name3-ethyl-1-hydroxy-10H-anthracen-9-one
PubChem CID58923362
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name3-ethyl-1-hydroxy-10H-anthracen-9-one
SMILESCCc1cc(O)c2c(c1)Cc1ccccc1C2=O
InChIInChI=1S/C16H14O2/c1-2-10-7-12-9-11-5-3-4-6-13(11)16(18)15(12)14(17)8-10/h3-8,17H,2,9H2,1H3
InChIKeyLANXOLRXQMGSAF-UHFFFAOYSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hydroxy-10H-anthracen-9-one?
The IUPAC name of 3-ethyl-1-hydroxy-10H-anthracen-9-one (CID 58923362) is 3-ethyl-1-hydroxy-10H-anthracen-9-one.
What is the SMILES notation for 3-ethyl-1-hydroxy-10H-anthracen-9-one?
The canonical SMILES for 3-ethyl-1-hydroxy-10H-anthracen-9-one is CCc1cc(O)c2c(c1)Cc1ccccc1C2=O.
What is the InChIKey of 3-ethyl-1-hydroxy-10H-anthracen-9-one?
The InChIKey is LANXOLRXQMGSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-2-10-7-12-9-11-5-3-4-6-13(11)16(18)15(12)14(17)8-10/h3-8,17H,2,9H2,1H3.
What are the key properties of 3-ethyl-1-hydroxy-10H-anthracen-9-one?
3-ethyl-1-hydroxy-10H-anthracen-9-one has a molecular weight of 238.29 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hydroxy-10H-anthracen-9-one is sourced from PubChem (CID 58923362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).