1-nonoxyanthracene

C23H28O — CID 86193569

IUPAC1-nonoxyanthracene
SMILESCCCCCCCCCOc1cccc2cc3ccccc3cc12
InChIInChI=1S/C23H28O/c1-2-3-4-5-6-7-10-16-24-23-15-11-14-21-17-19-12-8-9-13-20(19)18-22(21)23/h8-9,11-15,17-18H,2-7,10,16H2,1H3
InChIKeyWWTLJXKRYITKBR-UHFFFAOYSA-N
MW320.48 g/mol
LogP7.12
Rot. Bonds9

About 1-nonoxyanthracene

1-nonoxyanthracene (PubChem CID 86193569) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-nonoxyanthracene.

Molecular Properties

Compound Name1-nonoxyanthracene
PubChem CID86193569
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Name1-nonoxyanthracene
SMILESCCCCCCCCCOc1cccc2cc3ccccc3cc12
InChIInChI=1S/C23H28O/c1-2-3-4-5-6-7-10-16-24-23-15-11-14-21-17-19-12-8-9-13-20(19)18-22(21)23/h8-9,11-15,17-18H,2-7,10,16H2,1H3
InChIKeyWWTLJXKRYITKBR-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 15518170
1-decoxyphenanthrene
CID 140993229
ethyl 19-anthracen-1-yloxynonadecanoate
CID 175607147
ethyl 15-anthracen-1-yloxypentadecanoate
CID 175607190
1-butoxynaphthalene
CID 13262700
5-pentoxynaphthalen-2-ol
CID 22144275
1-butoxy-6,7-difluoronaphthalene
CID 70812007
1,4-didodecoxynaphthalene
CID 21304164
5-heptoxynaphthalene-2-carbaldehyde
CID 90037600

Frequently Asked Questions

What is the IUPAC name of 1-nonoxyanthracene?
The IUPAC name of 1-nonoxyanthracene (CID 86193569) is 1-nonoxyanthracene.
What is the SMILES notation for 1-nonoxyanthracene?
The canonical SMILES for 1-nonoxyanthracene is CCCCCCCCCOc1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-nonoxyanthracene?
The InChIKey is WWTLJXKRYITKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O/c1-2-3-4-5-6-7-10-16-24-23-15-11-14-21-17-19-12-8-9-13-20(19)18-22(21)23/h8-9,11-15,17-18H,2-7,10,16H2,1H3.
What are the key properties of 1-nonoxyanthracene?
1-nonoxyanthracene has a molecular weight of 320.48 g/mol, XLogP of 7.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonoxyanthracene is sourced from PubChem (CID 86193569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).