(10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one

C20H16O3 — CID 156581882

IUPAC(10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one
SMILESO=C1CCc2c3c4c(cccc4c4ccc(O)c1c24)[C@H](O)CC3
InChIInChI=1S/C20H16O3/c21-15-7-4-11-13-6-9-17(23)20-16(22)8-5-12(19(13)20)10-2-1-3-14(15)18(10)11/h1-3,5,8,15,21-22H,4,6-7,9H2/t15-/m1/s1
InChIKeyKCFGYWJEICTAEX-OAHLLOKOSA-N
MW304.34 g/mol
LogP3.81
Rot. Bonds

About (10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one

(10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one (PubChem CID 156581882) has the molecular formula C20H16O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is (10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one.

Molecular Properties

Compound Name(10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one
PubChem CID156581882
Molecular FormulaC20H16O3
Molecular Weight304.34 g/mol
Exact Mass304.11
IUPAC Name(10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one
SMILESO=C1CCc2c3c4c(cccc4c4ccc(O)c1c24)[C@H](O)CC3
InChIInChI=1S/C20H16O3/c21-15-7-4-11-13-6-9-17(23)20-16(22)8-5-12(19(13)20)10-2-1-3-14(15)18(10)11/h1-3,5,8,15,21-22H,4,6-7,9H2/t15-/m1/s1
InChIKeyKCFGYWJEICTAEX-OAHLLOKOSA-N
XLogP3.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one?
The IUPAC name of (10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one (CID 156581882) is (10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one.
What is the SMILES notation for (10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one?
The canonical SMILES for (10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one is O=C1CCc2c3c4c(cccc4c4ccc(O)c1c24)[C@H](O)CC3.
What is the InChIKey of (10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one?
The InChIKey is KCFGYWJEICTAEX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H16O3/c21-15-7-4-11-13-6-9-17(23)20-16(22)8-5-12(19(13)20)10-2-1-3-14(15)18(10)11/h1-3,5,8,15,21-22H,4,6-7,9H2/t15-/m1/s1.
What are the key properties of (10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one?
(10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one has a molecular weight of 304.34 g/mol, XLogP of 3.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-4,10-dihydroxy-2,10,11,12-tetrahydro-1H-perylen-3-one is sourced from PubChem (CID 156581882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).