9-bromo-10,10-dimethoxy-9H-phenanthrene

C16H15BrO2 — CID 165347012

IUPAC9-bromo-10,10-dimethoxy-9H-phenanthrene
SMILESCOC1(OC)c2ccccc2-c2ccccc2C1Br
InChIInChI=1S/C16H15BrO2/c1-18-16(19-2)14-10-6-5-8-12(14)11-7-3-4-9-13(11)15(16)17/h3-10,15H,1-2H3
InChIKeyNLPYISNCMYYDRV-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.25
Rot. Bonds2

About 9-bromo-10,10-dimethoxy-9H-phenanthrene

9-bromo-10,10-dimethoxy-9H-phenanthrene (PubChem CID 165347012) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 9-bromo-10,10-dimethoxy-9H-phenanthrene.

Molecular Properties

Compound Name9-bromo-10,10-dimethoxy-9H-phenanthrene
PubChem CID165347012
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name9-bromo-10,10-dimethoxy-9H-phenanthrene
SMILESCOC1(OC)c2ccccc2-c2ccccc2C1Br
InChIInChI=1S/C16H15BrO2/c1-18-16(19-2)14-10-6-5-8-12(14)11-7-3-4-9-13(11)15(16)17/h3-10,15H,1-2H3
InChIKeyNLPYISNCMYYDRV-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-10,10-dimethoxy-9H-phenanthrene?
The IUPAC name of 9-bromo-10,10-dimethoxy-9H-phenanthrene (CID 165347012) is 9-bromo-10,10-dimethoxy-9H-phenanthrene.
What is the SMILES notation for 9-bromo-10,10-dimethoxy-9H-phenanthrene?
The canonical SMILES for 9-bromo-10,10-dimethoxy-9H-phenanthrene is COC1(OC)c2ccccc2-c2ccccc2C1Br.
What is the InChIKey of 9-bromo-10,10-dimethoxy-9H-phenanthrene?
The InChIKey is NLPYISNCMYYDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-18-16(19-2)14-10-6-5-8-12(14)11-7-3-4-9-13(11)15(16)17/h3-10,15H,1-2H3.
What are the key properties of 9-bromo-10,10-dimethoxy-9H-phenanthrene?
9-bromo-10,10-dimethoxy-9H-phenanthrene has a molecular weight of 319.20 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10,10-dimethoxy-9H-phenanthrene is sourced from PubChem (CID 165347012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).