1-ethoxyphenanthrene

C16H14O — CID 19828992

IUPAC1-ethoxyphenanthrene
SMILESCCOc1cccc2c1ccc1ccccc12
InChIInChI=1S/C16H14O/c1-2-17-16-9-5-8-14-13-7-4-3-6-12(13)10-11-15(14)16/h3-11H,2H2,1H3
InChIKeyFONRFZLFNDUTOW-UHFFFAOYSA-N
MW222.29 g/mol
LogP4.39
Rot. Bonds2

About 1-ethoxyphenanthrene

1-ethoxyphenanthrene (PubChem CID 19828992) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-ethoxyphenanthrene.

Molecular Properties

Compound Name1-ethoxyphenanthrene
PubChem CID19828992
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name1-ethoxyphenanthrene
SMILESCCOc1cccc2c1ccc1ccccc12
InChIInChI=1S/C16H14O/c1-2-17-16-9-5-8-14-13-7-4-3-6-12(13)10-11-15(14)16/h3-11H,2H2,1H3
InChIKeyFONRFZLFNDUTOW-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 54.39
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

lithium;1-ethoxynaphthalene;hydride
CID 174613942
1-decoxyphenanthrene
CID 140993229
1,7-diethoxynaphthalene
CID 13359547
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
1-ethoxy-2-methoxynaphthalene
CID 45093938
1,2-diethoxytetracene
CID 141276964
1-propan-2-ylphenanthrene
CID 12628671
ethoxyethane;phenanthrene
CID 174652079
butane;chrysene;ethane
CID 143984277
chrysene;iron
CID 157379031
1-butoxynaphthalene
CID 13262700
6-methoxychrysene
CID 12935769

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyphenanthrene?
The IUPAC name of 1-ethoxyphenanthrene (CID 19828992) is 1-ethoxyphenanthrene.
What is the SMILES notation for 1-ethoxyphenanthrene?
The canonical SMILES for 1-ethoxyphenanthrene is CCOc1cccc2c1ccc1ccccc12.
What is the InChIKey of 1-ethoxyphenanthrene?
The InChIKey is FONRFZLFNDUTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-2-17-16-9-5-8-14-13-7-4-3-6-12(13)10-11-15(14)16/h3-11H,2H2,1H3.
What are the key properties of 1-ethoxyphenanthrene?
1-ethoxyphenanthrene has a molecular weight of 222.29 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyphenanthrene is sourced from PubChem (CID 19828992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).