methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate

C17H14O5 — CID 10827913

IUPACmethyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1O)C(=O)c1c(O)cccc1C2
InChIInChI=1S/C17H14O5/c1-22-13(19)8-11-6-5-10-7-9-3-2-4-12(18)14(9)17(21)15(10)16(11)20/h2-6,18,20H,7-8H2,1H3
InChIKeyKVCYSERQMIVJNE-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.95
Rot. Bonds2

About methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate

methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate (PubChem CID 10827913) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate
PubChem CID10827913
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Namemethyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1O)C(=O)c1c(O)cccc1C2
InChIInChI=1S/C17H14O5/c1-22-13(19)8-11-6-5-10-7-9-3-2-4-12(18)14(9)17(21)15(10)16(11)20/h2-6,18,20H,7-8H2,1H3
InChIKeyKVCYSERQMIVJNE-UHFFFAOYSA-N
XLogP1.95
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate?
The IUPAC name of methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate (CID 10827913) is methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate.
What is the SMILES notation for methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate?
The canonical SMILES for methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate is COC(=O)Cc1ccc2c(c1O)C(=O)c1c(O)cccc1C2.
What is the InChIKey of methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate?
The InChIKey is KVCYSERQMIVJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-22-13(19)8-11-6-5-10-7-9-3-2-4-12(18)14(9)17(21)15(10)16(11)20/h2-6,18,20H,7-8H2,1H3.
What are the key properties of methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate?
methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate has a molecular weight of 298.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)acetate is sourced from PubChem (CID 10827913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).