4,5-dimethoxyphenanthrene-2,9-diol

C16H14O4 — CID 46211446

IUPAC4,5-dimethoxyphenanthrene-2,9-diol
SMILESCOc1cc(O)cc2cc(O)c3cccc(OC)c3c12
InChIInChI=1S/C16H14O4/c1-19-13-5-3-4-11-12(18)7-9-6-10(17)8-14(20-2)15(9)16(11)13/h3-8,17-18H,1-2H3
InChIKeyLXWFKQGQNDDVAL-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.42
Rot. Bonds2

About 4,5-dimethoxyphenanthrene-2,9-diol

4,5-dimethoxyphenanthrene-2,9-diol (PubChem CID 46211446) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4,5-dimethoxyphenanthrene-2,9-diol.

Molecular Properties

Compound Name4,5-dimethoxyphenanthrene-2,9-diol
PubChem CID46211446
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name4,5-dimethoxyphenanthrene-2,9-diol
SMILESCOc1cc(O)cc2cc(O)c3cccc(OC)c3c12
InChIInChI=1S/C16H14O4/c1-19-13-5-3-4-11-12(18)7-9-6-10(17)8-14(20-2)15(9)16(11)13/h3-8,17-18H,1-2H3
InChIKeyLXWFKQGQNDDVAL-UHFFFAOYSA-N
XLogP3.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4,5-dimethoxyphenanthrene-2,9-diol?
The IUPAC name of 4,5-dimethoxyphenanthrene-2,9-diol (CID 46211446) is 4,5-dimethoxyphenanthrene-2,9-diol.
What is the SMILES notation for 4,5-dimethoxyphenanthrene-2,9-diol?
The canonical SMILES for 4,5-dimethoxyphenanthrene-2,9-diol is COc1cc(O)cc2cc(O)c3cccc(OC)c3c12.
What is the InChIKey of 4,5-dimethoxyphenanthrene-2,9-diol?
The InChIKey is LXWFKQGQNDDVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-13-5-3-4-11-12(18)7-9-6-10(17)8-14(20-2)15(9)16(11)13/h3-8,17-18H,1-2H3.
What are the key properties of 4,5-dimethoxyphenanthrene-2,9-diol?
4,5-dimethoxyphenanthrene-2,9-diol has a molecular weight of 270.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxyphenanthrene-2,9-diol is sourced from PubChem (CID 46211446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).