10,10-diethoxy-9H-phenanthrene

C18H20O2 — CID 174550457

IUPAC10,10-diethoxy-9H-phenanthrene
SMILESCCOC1(OCC)Cc2ccccc2-c2ccccc21
InChIInChI=1S/C18H20O2/c1-3-19-18(20-4-2)13-14-9-5-6-10-15(14)16-11-7-8-12-17(16)18/h5-12H,3-4,13H2,1-2H3
InChIKeyBDRDXGLFQRZFTG-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.14
Rot. Bonds4

About 10,10-diethoxy-9H-phenanthrene

10,10-diethoxy-9H-phenanthrene (PubChem CID 174550457) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 10,10-diethoxy-9H-phenanthrene.

Molecular Properties

Compound Name10,10-diethoxy-9H-phenanthrene
PubChem CID174550457
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name10,10-diethoxy-9H-phenanthrene
SMILESCCOC1(OCC)Cc2ccccc2-c2ccccc21
InChIInChI=1S/C18H20O2/c1-3-19-18(20-4-2)13-14-9-5-6-10-15(14)16-11-7-8-12-17(16)18/h5-12H,3-4,13H2,1-2H3
InChIKeyBDRDXGLFQRZFTG-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethoxy-3H-inden-1-one
CID 11557601
1-ethoxyethanol;9H-fluorene
CID 174814195
1-methylspiro[3H-indole-2,10'-9H-phenanthrene]
CID 10447353
bis(9H-fluorene);pentane
CID 159146463
2,10,10-trimethyl-9H-phenanthrene
CID 175802483
ethyl 9-hydroxyfluorene-9-carboxylate
CID 139070715
5-ethoxy-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 115590590
ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate
CID 46850160
ethane;9H-fluorene;methane;methoxyethane;propane
CID 159155851
bis(9H-fluorene);methane;pentane
CID 158815702
pentakis(N-ethylethanamine);9H-fluorene
CID 172860190
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288

Frequently Asked Questions

What is the IUPAC name of 10,10-diethoxy-9H-phenanthrene?
The IUPAC name of 10,10-diethoxy-9H-phenanthrene (CID 174550457) is 10,10-diethoxy-9H-phenanthrene.
What is the SMILES notation for 10,10-diethoxy-9H-phenanthrene?
The canonical SMILES for 10,10-diethoxy-9H-phenanthrene is CCOC1(OCC)Cc2ccccc2-c2ccccc21.
What is the InChIKey of 10,10-diethoxy-9H-phenanthrene?
The InChIKey is BDRDXGLFQRZFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-19-18(20-4-2)13-14-9-5-6-10-15(14)16-11-7-8-12-17(16)18/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 10,10-diethoxy-9H-phenanthrene?
10,10-diethoxy-9H-phenanthrene has a molecular weight of 268.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diethoxy-9H-phenanthrene is sourced from PubChem (CID 174550457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).