5,6,7-trimethoxyphenanthren-2-ol

C17H16O4 — CID 11997529

IUPAC5,6,7-trimethoxyphenanthren-2-ol
SMILESCOc1cc2ccc3cc(O)ccc3c2c(OC)c1OC
InChIInChI=1S/C17H16O4/c1-19-14-9-11-5-4-10-8-12(18)6-7-13(10)15(11)17(21-3)16(14)20-2/h4-9,18H,1-3H3
InChIKeyXOYDRISJWPIZCQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.72
Rot. Bonds3

About 5,6,7-trimethoxyphenanthren-2-ol

5,6,7-trimethoxyphenanthren-2-ol (PubChem CID 11997529) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5,6,7-trimethoxyphenanthren-2-ol.

Molecular Properties

Compound Name5,6,7-trimethoxyphenanthren-2-ol
PubChem CID11997529
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name5,6,7-trimethoxyphenanthren-2-ol
SMILESCOc1cc2ccc3cc(O)ccc3c2c(OC)c1OC
InChIInChI=1S/C17H16O4/c1-19-14-9-11-5-4-10-8-12(18)6-7-13(10)15(11)17(21-3)16(14)20-2/h4-9,18H,1-3H3
InChIKeyXOYDRISJWPIZCQ-UHFFFAOYSA-N
XLogP3.72
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
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 5,6,7-trimethoxyphenanthren-2-ol?
The IUPAC name of 5,6,7-trimethoxyphenanthren-2-ol (CID 11997529) is 5,6,7-trimethoxyphenanthren-2-ol.
What is the SMILES notation for 5,6,7-trimethoxyphenanthren-2-ol?
The canonical SMILES for 5,6,7-trimethoxyphenanthren-2-ol is COc1cc2ccc3cc(O)ccc3c2c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxyphenanthren-2-ol?
The InChIKey is XOYDRISJWPIZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-19-14-9-11-5-4-10-8-12(18)6-7-13(10)15(11)17(21-3)16(14)20-2/h4-9,18H,1-3H3.
What are the key properties of 5,6,7-trimethoxyphenanthren-2-ol?
5,6,7-trimethoxyphenanthren-2-ol has a molecular weight of 284.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxyphenanthren-2-ol is sourced from PubChem (CID 11997529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).