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

C15H14O4 — CID 129360472

IUPAC(9S)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol
SMILESCOc1cc(O)cc2c1-c1c(O)cccc1[C@@H](O)C2
InChIInChI=1S/C15H14O4/c1-19-13-7-9(16)5-8-6-12(18)10-3-2-4-11(17)15(10)14(8)13/h2-5,7,12,16-18H,6H2,1H3/t12-/m0/s1
InChIKeyFRNDIOQCIXBSFC-LBPRGKRZSA-N
MW258.27 g/mol
LogP2.36
Rot. Bonds1

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

(9S)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol (PubChem CID 129360472) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is (9S)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol.

Molecular Properties

Compound Name(9S)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol
PubChem CID129360472
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(9S)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol
SMILESCOc1cc(O)cc2c1-c1c(O)cccc1[C@@H](O)C2
InChIInChI=1S/C15H14O4/c1-19-13-7-9(16)5-8-6-12(18)10-3-2-4-11(17)15(10)14(8)13/h2-5,7,12,16-18H,6H2,1H3/t12-/m0/s1
InChIKeyFRNDIOQCIXBSFC-LBPRGKRZSA-N
XLogP2.36
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (9S)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol?
The IUPAC name of (9S)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol (CID 129360472) is (9S)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol.
What is the SMILES notation for (9S)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol?
The canonical SMILES for (9S)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol is COc1cc(O)cc2c1-c1c(O)cccc1[C@@H](O)C2.
What is the InChIKey of (9S)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol?
The InChIKey is FRNDIOQCIXBSFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14O4/c1-19-13-7-9(16)5-8-6-12(18)10-3-2-4-11(17)15(10)14(8)13/h2-5,7,12,16-18H,6H2,1H3/t12-/m0/s1.
What are the key properties of (9S)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol?
(9S)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol has a molecular weight of 258.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol is sourced from PubChem (CID 129360472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).