3,6-dimethoxyphenanthrene

C16H14O2 — CID 617168

IUPAC3,6-dimethoxyphenanthrene
SMILESCOc1ccc2ccc3ccc(OC)cc3c2c1
InChIInChI=1S/C16H14O2/c1-17-13-7-5-11-3-4-12-6-8-14(18-2)10-16(12)15(11)9-13/h3-10H,1-2H3
InChIKeyFSOLYWGGLXQAMC-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.01
Rot. Bonds2

About 3,6-dimethoxyphenanthrene

3,6-dimethoxyphenanthrene (PubChem CID 617168) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3,6-dimethoxyphenanthrene.

Molecular Properties

Compound Name3,6-dimethoxyphenanthrene
PubChem CID617168
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name3,6-dimethoxyphenanthrene
SMILESCOc1ccc2ccc3ccc(OC)cc3c2c1
InChIInChI=1S/C16H14O2/c1-17-13-7-5-11-3-4-12-6-8-14(18-2)10-16(12)15(11)9-13/h3-10H,1-2H3
InChIKeyFSOLYWGGLXQAMC-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,6-dimethoxyphenanthrene?
The IUPAC name of 3,6-dimethoxyphenanthrene (CID 617168) is 3,6-dimethoxyphenanthrene.
What is the SMILES notation for 3,6-dimethoxyphenanthrene?
The canonical SMILES for 3,6-dimethoxyphenanthrene is COc1ccc2ccc3ccc(OC)cc3c2c1.
What is the InChIKey of 3,6-dimethoxyphenanthrene?
The InChIKey is FSOLYWGGLXQAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-17-13-7-5-11-3-4-12-6-8-14(18-2)10-16(12)15(11)9-13/h3-10H,1-2H3.
What are the key properties of 3,6-dimethoxyphenanthrene?
3,6-dimethoxyphenanthrene has a molecular weight of 238.29 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxyphenanthrene is sourced from PubChem (CID 617168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).