(3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione

C23H24O3 — CID 70911528

IUPAC(3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione
SMILESCc1ccc(C2CCC([C@H]3C(=O)c4ccccc4C(=O)C3O)CC2)cc1
InChIInChI=1S/C23H24O3/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)20-21(24)18-4-2-3-5-19(18)22(25)23(20)26/h2-9,16-17,20,23,26H,10-13H2,1H3/t16?,17?,20-,23?/m0/s1
InChIKeyVYAOEDQJCOOHOU-MVBITHMVSA-N
MW348.44 g/mol
LogP4.33
Rot. Bonds2

About (3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione

(3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione (PubChem CID 70911528) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is (3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione.

Molecular Properties

Compound Name(3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione
PubChem CID70911528
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name(3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione
SMILESCc1ccc(C2CCC([C@H]3C(=O)c4ccccc4C(=O)C3O)CC2)cc1
InChIInChI=1S/C23H24O3/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)20-21(24)18-4-2-3-5-19(18)22(25)23(20)26/h2-9,16-17,20,23,26H,10-13H2,1H3/t16?,17?,20-,23?/m0/s1
InChIKeyVYAOEDQJCOOHOU-MVBITHMVSA-N
XLogP4.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione?
The IUPAC name of (3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione (CID 70911528) is (3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione.
What is the SMILES notation for (3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione?
The canonical SMILES for (3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione is Cc1ccc(C2CCC([C@H]3C(=O)c4ccccc4C(=O)C3O)CC2)cc1.
What is the InChIKey of (3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione?
The InChIKey is VYAOEDQJCOOHOU-MVBITHMVSA-N. The full InChI is InChI=1S/C23H24O3/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)20-21(24)18-4-2-3-5-19(18)22(25)23(20)26/h2-9,16-17,20,23,26H,10-13H2,1H3/t16?,17?,20-,23?/m0/s1.
What are the key properties of (3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione?
(3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione has a molecular weight of 348.44 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-hydroxy-3-[4-(4-methylphenyl)cyclohexyl]-2,3-dihydronaphthalene-1,4-dione is sourced from PubChem (CID 70911528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).