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'}

Analyze 9-bromo-10,10-dimethoxy-9H-phenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;9-methoxy-9-methylfluorene
CID 91285741
8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene
CID 11135759
4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene]
CID 102239343
(1R,14R,15R,19S)-1-methoxy-17-oxapentacyclo[12.5.0.02,7.08,13.015,19]nonadeca-2,4,6,8,10,12-hexaene-16,18-dione
CID 98539226
(1R,2R,10bR)-10b-methoxy-2,2a-dihydro-1H-cyclobuta[l]phenanthrene-1,2-dicarboxylic acid
CID 90662248
9-(ethoxymethyl)-9-methoxyfluorene
CID 22477131
9-methoxy-9-(2-methoxyphenyl)fluorene
CID 13256753
3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one
CID 175769647
9,9-diphenylfluorene;methoxymethane
CID 143139467
lithium 9-ethyl-9H-fluorene
CID 23225742
methyl (1S,2S)-1-hydroxy-3-methylidene-1,2-dihydroindene-2-carboxylate
CID 102419080
spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde
CID 175453260

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).