ethoxyethane;phenanthrene

C18H20O — CID 174652079

IUPACethoxyethane;phenanthrene
SMILESCCOCC.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.C4H10O/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-5-4-2/h1-10H;3-4H2,1-2H3
InChIKeyGEMUVNQFZNNIPH-UHFFFAOYSA-N
MW252.36 g/mol
LogP5.04
Rot. Bonds2

About ethoxyethane;phenanthrene

ethoxyethane;phenanthrene (PubChem CID 174652079) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is ethoxyethane;phenanthrene.

Molecular Properties

Compound Nameethoxyethane;phenanthrene
PubChem CID174652079
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Nameethoxyethane;phenanthrene
SMILESCCOCC.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.C4H10O/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-5-4-2/h1-10H;3-4H2,1-2H3
InChIKeyGEMUVNQFZNNIPH-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.04
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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Related Compounds

ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
phenanthrene;sulfane
CID 159172584
phenanthrene;phosphane
CID 161431298
ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol
CID 67656533
heptane;phenanthrene
CID 157482146
butane;chrysene;ethane
CID 143984277
ethoxyethane;2-ethoxynaphthalene
CID 118982387
ethyl acetate;phenanthrene
CID 160726264
1-ethoxy-2-methoxynaphthalene
CID 45093938
1-ethoxyphenanthrene
CID 19828992
chrysene;iron
CID 157379031

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;phenanthrene?
The IUPAC name of ethoxyethane;phenanthrene (CID 174652079) is ethoxyethane;phenanthrene.
What is the SMILES notation for ethoxyethane;phenanthrene?
The canonical SMILES for ethoxyethane;phenanthrene is CCOCC.c1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of ethoxyethane;phenanthrene?
The InChIKey is GEMUVNQFZNNIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C4H10O/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-5-4-2/h1-10H;3-4H2,1-2H3.
What are the key properties of ethoxyethane;phenanthrene?
ethoxyethane;phenanthrene has a molecular weight of 252.36 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;phenanthrene is sourced from PubChem (CID 174652079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).