9-(methoxymethyl)phenanthrene

C16H14O — CID 15557052

IUPAC9-(methoxymethyl)phenanthrene
SMILESCOCc1cc2ccccc2c2ccccc12
InChIInChI=1S/C16H14O/c1-17-11-13-10-12-6-2-3-7-14(12)16-9-5-4-8-15(13)16/h2-10H,11H2,1H3
InChIKeyXILYADAUCYRKMF-UHFFFAOYSA-N
MW222.29 g/mol
LogP4.14
Rot. Bonds2

About 9-(methoxymethyl)phenanthrene

9-(methoxymethyl)phenanthrene (PubChem CID 15557052) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 9-(methoxymethyl)phenanthrene.

Molecular Properties

Compound Name9-(methoxymethyl)phenanthrene
PubChem CID15557052
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name9-(methoxymethyl)phenanthrene
SMILESCOCc1cc2ccccc2c2ccccc12
InChIInChI=1S/C16H14O/c1-17-11-13-10-12-6-2-3-7-14(12)16-9-5-4-8-15(13)16/h2-10H,11H2,1H3
InChIKeyXILYADAUCYRKMF-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 9-(methoxymethyl)phenanthrene?
The IUPAC name of 9-(methoxymethyl)phenanthrene (CID 15557052) is 9-(methoxymethyl)phenanthrene.
What is the SMILES notation for 9-(methoxymethyl)phenanthrene?
The canonical SMILES for 9-(methoxymethyl)phenanthrene is COCc1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-(methoxymethyl)phenanthrene?
The InChIKey is XILYADAUCYRKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-17-11-13-10-12-6-2-3-7-14(12)16-9-5-4-8-15(13)16/h2-10H,11H2,1H3.
What are the key properties of 9-(methoxymethyl)phenanthrene?
9-(methoxymethyl)phenanthrene has a molecular weight of 222.29 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)phenanthrene is sourced from PubChem (CID 15557052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).