9-(1-methoxyethyl)phenanthrene

C17H16O — CID 59800346

IUPAC9-(1-methoxyethyl)phenanthrene
SMILESCOC(C)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C17H16O/c1-12(18-2)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17/h3-12H,1-2H3
InChIKeyGCWSJZFGKBHCQF-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.70
Rot. Bonds2

About 9-(1-methoxyethyl)phenanthrene

9-(1-methoxyethyl)phenanthrene (PubChem CID 59800346) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 9-(1-methoxyethyl)phenanthrene.

Molecular Properties

Compound Name9-(1-methoxyethyl)phenanthrene
PubChem CID59800346
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name9-(1-methoxyethyl)phenanthrene
SMILESCOC(C)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C17H16O/c1-12(18-2)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17/h3-12H,1-2H3
InChIKeyGCWSJZFGKBHCQF-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(1-methoxyethyl)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

(1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine
CID 171232441
4-(1-methoxyethyl)naphthalen-1-ol
CID 102547369
(1S,2R)-1-amino-3-methyl-1-phenanthren-9-ylpentan-2-ol
CID 171270480
methyl 2,3-dihydroxy-3-phenanthren-9-ylpropanoate
CID 171865077
2-(1-phenanthren-9-ylethyl)benzo[f]isoindole-1,3-dione
CID 85342407
6-propan-2-ylbenzo[a]anthracene
CID 90474215
(1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine
CID 102238248
(1S)-1-phenanthren-9-ylbutan-1-amine
CID 171232433
9-(diphenoxymethyl)phenanthrene
CID 140773859
CID 174469146
CID 174469146
(1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride
CID 171250653
(3-methoxyphenyl)-phenanthren-9-ylmethanol
CID 72942494

Frequently Asked Questions

What is the IUPAC name of 9-(1-methoxyethyl)phenanthrene?
The IUPAC name of 9-(1-methoxyethyl)phenanthrene (CID 59800346) is 9-(1-methoxyethyl)phenanthrene.
What is the SMILES notation for 9-(1-methoxyethyl)phenanthrene?
The canonical SMILES for 9-(1-methoxyethyl)phenanthrene is COC(C)c1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-(1-methoxyethyl)phenanthrene?
The InChIKey is GCWSJZFGKBHCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-12(18-2)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17/h3-12H,1-2H3.
What are the key properties of 9-(1-methoxyethyl)phenanthrene?
9-(1-methoxyethyl)phenanthrene has a molecular weight of 236.31 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methoxyethyl)phenanthrene is sourced from PubChem (CID 59800346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).