1,5,6,7-tetramethoxyphenanthrene

C18H18O4 — CID 15744528

IUPAC1,5,6,7-tetramethoxyphenanthrene
SMILESCOc1cc2ccc3c(OC)cccc3c2c(OC)c1OC
InChIInChI=1S/C18H18O4/c1-19-14-7-5-6-13-12(14)9-8-11-10-15(20-2)17(21-3)18(22-4)16(11)13/h5-10H,1-4H3
InChIKeyDWZYZZWFOUEMPH-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.03
Rot. Bonds4

About 1,5,6,7-tetramethoxyphenanthrene

1,5,6,7-tetramethoxyphenanthrene (PubChem CID 15744528) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1,5,6,7-tetramethoxyphenanthrene.

Molecular Properties

Compound Name1,5,6,7-tetramethoxyphenanthrene
PubChem CID15744528
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name1,5,6,7-tetramethoxyphenanthrene
SMILESCOc1cc2ccc3c(OC)cccc3c2c(OC)c1OC
InChIInChI=1S/C18H18O4/c1-19-14-7-5-6-13-12(14)9-8-11-10-15(20-2)17(21-3)18(22-4)16(11)13/h5-10H,1-4H3
InChIKeyDWZYZZWFOUEMPH-UHFFFAOYSA-N
XLogP4.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
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 1,5,6,7-tetramethoxyphenanthrene?
The IUPAC name of 1,5,6,7-tetramethoxyphenanthrene (CID 15744528) is 1,5,6,7-tetramethoxyphenanthrene.
What is the SMILES notation for 1,5,6,7-tetramethoxyphenanthrene?
The canonical SMILES for 1,5,6,7-tetramethoxyphenanthrene is COc1cc2ccc3c(OC)cccc3c2c(OC)c1OC.
What is the InChIKey of 1,5,6,7-tetramethoxyphenanthrene?
The InChIKey is DWZYZZWFOUEMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-19-14-7-5-6-13-12(14)9-8-11-10-15(20-2)17(21-3)18(22-4)16(11)13/h5-10H,1-4H3.
What are the key properties of 1,5,6,7-tetramethoxyphenanthrene?
1,5,6,7-tetramethoxyphenanthrene has a molecular weight of 298.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetramethoxyphenanthrene is sourced from PubChem (CID 15744528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).