3,5-dimethoxyphenanthrene-2,7-diol

C16H14O4 — CID 44572330

IUPAC3,5-dimethoxyphenanthrene-2,7-diol
SMILESCOc1cc2c(ccc3cc(O)cc(OC)c32)cc1O
InChIInChI=1S/C16H14O4/c1-19-14-8-12-9(6-13(14)18)3-4-10-5-11(17)7-15(20-2)16(10)12/h3-8,17-18H,1-2H3
InChIKeyYKFWCNBTQYCJQV-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.42
Rot. Bonds2

About 3,5-dimethoxyphenanthrene-2,7-diol

3,5-dimethoxyphenanthrene-2,7-diol (PubChem CID 44572330) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3,5-dimethoxyphenanthrene-2,7-diol.

Molecular Properties

Compound Name3,5-dimethoxyphenanthrene-2,7-diol
PubChem CID44572330
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name3,5-dimethoxyphenanthrene-2,7-diol
SMILESCOc1cc2c(ccc3cc(O)cc(OC)c32)cc1O
InChIInChI=1S/C16H14O4/c1-19-14-8-12-9(6-13(14)18)3-4-10-5-11(17)7-15(20-2)16(10)12/h3-8,17-18H,1-2H3
InChIKeyYKFWCNBTQYCJQV-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 3,5-dimethoxyphenanthrene-2,7-diol?
The IUPAC name of 3,5-dimethoxyphenanthrene-2,7-diol (CID 44572330) is 3,5-dimethoxyphenanthrene-2,7-diol.
What is the SMILES notation for 3,5-dimethoxyphenanthrene-2,7-diol?
The canonical SMILES for 3,5-dimethoxyphenanthrene-2,7-diol is COc1cc2c(ccc3cc(O)cc(OC)c32)cc1O.
What is the InChIKey of 3,5-dimethoxyphenanthrene-2,7-diol?
The InChIKey is YKFWCNBTQYCJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-14-8-12-9(6-13(14)18)3-4-10-5-11(17)7-15(20-2)16(10)12/h3-8,17-18H,1-2H3.
What are the key properties of 3,5-dimethoxyphenanthrene-2,7-diol?
3,5-dimethoxyphenanthrene-2,7-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 3,5-dimethoxyphenanthrene-2,7-diol is sourced from PubChem (CID 44572330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).