(9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol

C15H14O5 — CID 73212405

IUPAC(9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol
SMILESCOc1cc(O)cc2c1-c1c(O)cc(O)cc1C[C@@H]2O
InChIInChI=1S/C15H14O5/c1-20-13-6-9(17)4-10-11(18)3-7-2-8(16)5-12(19)14(7)15(10)13/h2,4-6,11,16-19H,3H2,1H3/t11-/m0/s1
InChIKeyKGKREBUEHMRSJB-NSHDSACASA-N
MW274.27 g/mol
LogP2.07
Rot. Bonds1

About (9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol

(9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol (PubChem CID 73212405) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is (9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol.

Molecular Properties

Compound Name(9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol
PubChem CID73212405
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol
SMILESCOc1cc(O)cc2c1-c1c(O)cc(O)cc1C[C@@H]2O
InChIInChI=1S/C15H14O5/c1-20-13-6-9(17)4-10-11(18)3-7-2-8(16)5-12(19)14(7)15(10)13/h2,4-6,11,16-19H,3H2,1H3/t11-/m0/s1
InChIKeyKGKREBUEHMRSJB-NSHDSACASA-N
XLogP2.07
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol?
The IUPAC name of (9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol (CID 73212405) is (9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol.
What is the SMILES notation for (9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol?
The canonical SMILES for (9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol is COc1cc(O)cc2c1-c1c(O)cc(O)cc1C[C@@H]2O.
What is the InChIKey of (9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol?
The InChIKey is KGKREBUEHMRSJB-NSHDSACASA-N. The full InChI is InChI=1S/C15H14O5/c1-20-13-6-9(17)4-10-11(18)3-7-2-8(16)5-12(19)14(7)15(10)13/h2,4-6,11,16-19H,3H2,1H3/t11-/m0/s1.
What are the key properties of (9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol?
(9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol has a molecular weight of 274.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-5-methoxy-9,10-dihydrophenanthrene-2,4,7,9-tetrol is sourced from PubChem (CID 73212405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).