3,4,8-trimethoxyphenanthrene-2,5-diol

C17H16O5 — CID 46871897

IUPAC3,4,8-trimethoxyphenanthrene-2,5-diol
SMILESCOc1c(O)cc2ccc3c(OC)ccc(O)c3c2c1OC
InChIInChI=1S/C17H16O5/c1-20-13-7-6-11(18)15-10(13)5-4-9-8-12(19)16(21-2)17(22-3)14(9)15/h4-8,18-19H,1-3H3
InChIKeyRWWKZMYUOWSSPW-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.43
Rot. Bonds3

About 3,4,8-trimethoxyphenanthrene-2,5-diol

3,4,8-trimethoxyphenanthrene-2,5-diol (PubChem CID 46871897) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3,4,8-trimethoxyphenanthrene-2,5-diol.

Molecular Properties

Compound Name3,4,8-trimethoxyphenanthrene-2,5-diol
PubChem CID46871897
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name3,4,8-trimethoxyphenanthrene-2,5-diol
SMILESCOc1c(O)cc2ccc3c(OC)ccc(O)c3c2c1OC
InChIInChI=1S/C17H16O5/c1-20-13-7-6-11(18)15-10(13)5-4-9-8-12(19)16(21-2)17(22-3)14(9)15/h4-8,18-19H,1-3H3
InChIKeyRWWKZMYUOWSSPW-UHFFFAOYSA-N
XLogP3.43
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3,4,8-trimethoxyphenanthrene-2,5-diol?
The IUPAC name of 3,4,8-trimethoxyphenanthrene-2,5-diol (CID 46871897) is 3,4,8-trimethoxyphenanthrene-2,5-diol.
What is the SMILES notation for 3,4,8-trimethoxyphenanthrene-2,5-diol?
The canonical SMILES for 3,4,8-trimethoxyphenanthrene-2,5-diol is COc1c(O)cc2ccc3c(OC)ccc(O)c3c2c1OC.
What is the InChIKey of 3,4,8-trimethoxyphenanthrene-2,5-diol?
The InChIKey is RWWKZMYUOWSSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-20-13-7-6-11(18)15-10(13)5-4-9-8-12(19)16(21-2)17(22-3)14(9)15/h4-8,18-19H,1-3H3.
What are the key properties of 3,4,8-trimethoxyphenanthrene-2,5-diol?
3,4,8-trimethoxyphenanthrene-2,5-diol has a molecular weight of 300.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8-trimethoxyphenanthrene-2,5-diol is sourced from PubChem (CID 46871897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).