4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one

C18H10O2 — CID 102018321

IUPAC4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one
SMILESC#Cc1cccc2c1C(O)=c1c(cccc1=C=C)C2=O
InChIInChI=1S/C18H10O2/c1-3-11-7-5-9-13-15(11)18(20)16-12(4-2)8-6-10-14(16)17(13)19/h1,5-10,20H,2H2
InChIKeyQITWAWIVXPPLKG-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.49
Rot. Bonds

About 4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one

4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one (PubChem CID 102018321) has the molecular formula C18H10O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one.

Molecular Properties

Compound Name4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one
PubChem CID102018321
Molecular FormulaC18H10O2
Molecular Weight258.28 g/mol
Exact Mass258.07
IUPAC Name4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one
SMILESC#Cc1cccc2c1C(O)=c1c(cccc1=C=C)C2=O
InChIInChI=1S/C18H10O2/c1-3-11-7-5-9-13-15(11)18(20)16-12(4-2)8-6-10-14(16)17(13)19/h1,5-10,20H,2H2
InChIKeyQITWAWIVXPPLKG-UHFFFAOYSA-N
XLogP1.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one?
The IUPAC name of 4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one (CID 102018321) is 4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one.
What is the SMILES notation for 4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one?
The canonical SMILES for 4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one is C#Cc1cccc2c1C(O)=c1c(cccc1=C=C)C2=O.
What is the InChIKey of 4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one?
The InChIKey is QITWAWIVXPPLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O2/c1-3-11-7-5-9-13-15(11)18(20)16-12(4-2)8-6-10-14(16)17(13)19/h1,5-10,20H,2H2.
What are the key properties of 4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one?
4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one has a molecular weight of 258.28 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylidene-5-ethynyl-10-hydroxyanthracen-9-one is sourced from PubChem (CID 102018321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).