(1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione

C19H16O3 — CID 38361941

IUPAC(1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione
SMILESCc1c2c(cc3c1C(=O)c1ccccc1C3=O)[C@](C)(O)CC2
InChIInChI=1S/C19H16O3/c1-10-11-7-8-19(2,22)15(11)9-14-16(10)18(21)13-6-4-3-5-12(13)17(14)20/h3-6,9,22H,7-8H2,1-2H3/t19-/m1/s1
InChIKeyLKQDOAALZXNHGS-LJQANCHMSA-N
MW292.33 g/mol
LogP2.92
Rot. Bonds

About (1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione

(1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione (PubChem CID 38361941) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is (1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione.

Molecular Properties

Compound Name(1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione
PubChem CID38361941
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name(1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione
SMILESCc1c2c(cc3c1C(=O)c1ccccc1C3=O)[C@](C)(O)CC2
InChIInChI=1S/C19H16O3/c1-10-11-7-8-19(2,22)15(11)9-14-16(10)18(21)13-6-4-3-5-12(13)17(14)20/h3-6,9,22H,7-8H2,1-2H3/t19-/m1/s1
InChIKeyLKQDOAALZXNHGS-LJQANCHMSA-N
XLogP2.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze (1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione with MolForge

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Related Compounds

Bms-181156
CID 445576
9-oxo-9H-fluorenecarboxylic acid
CID 74083
2-(Hydroxymethyl)anthraquinone
CID 87014
4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid
CID 9810431
18-Nor-4,15-dihydroxyabieta-8,11,13-trien-7-one
CID 3009629
Fluorenone-2-carboxylic acid
CID 69913
5-Acenaphthoic acid
CID 97619
9-Oxo-9H-fluorene-2,7-dicarboxylic acid
CID 2758945
3-(4-carboxyphenyl)-2,3-dihydro-1,1,3-trimethyl-1H-indene-5-carboxylic acid
CID 107125
4-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-benzoic acid
CID 9886082
4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-benzoic acid
CID 9949645
4-(3-Ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-benzoic acid
CID 9950957

Frequently Asked Questions

What is the IUPAC name of (1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione?
The IUPAC name of (1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione (CID 38361941) is (1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione.
What is the SMILES notation for (1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione?
The canonical SMILES for (1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione is Cc1c2c(cc3c1C(=O)c1ccccc1C3=O)[C@](C)(O)CC2.
What is the InChIKey of (1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione?
The InChIKey is LKQDOAALZXNHGS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16O3/c1-10-11-7-8-19(2,22)15(11)9-14-16(10)18(21)13-6-4-3-5-12(13)17(14)20/h3-6,9,22H,7-8H2,1-2H3/t19-/m1/s1.
What are the key properties of (1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione?
(1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione has a molecular weight of 292.33 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione is sourced from PubChem (CID 38361941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).