3,5,7-trimethoxyphenanthrene-2,6-diol

C17H16O5 — CID 44600130

IUPAC3,5,7-trimethoxyphenanthrene-2,6-diol
SMILESCOc1cc2c(ccc3cc(OC)c(O)c(OC)c32)cc1O
InChIInChI=1S/C17H16O5/c1-20-13-8-11-9(6-12(13)18)4-5-10-7-14(21-2)16(19)17(22-3)15(10)11/h4-8,18-19H,1-3H3
InChIKeyUXEZMBCBKXCZBP-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.43
Rot. Bonds3

About 3,5,7-trimethoxyphenanthrene-2,6-diol

3,5,7-trimethoxyphenanthrene-2,6-diol (PubChem CID 44600130) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3,5,7-trimethoxyphenanthrene-2,6-diol.

Molecular Properties

Compound Name3,5,7-trimethoxyphenanthrene-2,6-diol
PubChem CID44600130
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name3,5,7-trimethoxyphenanthrene-2,6-diol
SMILESCOc1cc2c(ccc3cc(OC)c(O)c(OC)c32)cc1O
InChIInChI=1S/C17H16O5/c1-20-13-8-11-9(6-12(13)18)4-5-10-7-14(21-2)16(19)17(22-3)15(10)11/h4-8,18-19H,1-3H3
InChIKeyUXEZMBCBKXCZBP-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 3,5,7-trimethoxyphenanthrene-2,6-diol?
The IUPAC name of 3,5,7-trimethoxyphenanthrene-2,6-diol (CID 44600130) is 3,5,7-trimethoxyphenanthrene-2,6-diol.
What is the SMILES notation for 3,5,7-trimethoxyphenanthrene-2,6-diol?
The canonical SMILES for 3,5,7-trimethoxyphenanthrene-2,6-diol is COc1cc2c(ccc3cc(OC)c(O)c(OC)c32)cc1O.
What is the InChIKey of 3,5,7-trimethoxyphenanthrene-2,6-diol?
The InChIKey is UXEZMBCBKXCZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-20-13-8-11-9(6-12(13)18)4-5-10-7-14(21-2)16(19)17(22-3)15(10)11/h4-8,18-19H,1-3H3.
What are the key properties of 3,5,7-trimethoxyphenanthrene-2,6-diol?
3,5,7-trimethoxyphenanthrene-2,6-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 3,5,7-trimethoxyphenanthrene-2,6-diol is sourced from PubChem (CID 44600130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).