9-(9-chlorononoxy)anthracene

C23H27ClO — CID 21280847

IUPAC9-(9-chlorononoxy)anthracene
SMILESClCCCCCCCCCOc1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H27ClO/c24-16-10-4-2-1-3-5-11-17-25-23-21-14-8-6-12-19(21)18-20-13-7-9-15-22(20)23/h6-9,12-15,18H,1-5,10-11,16-17H2
InChIKeyVMUFUDGVLKOVKS-UHFFFAOYSA-N
MW354.92 g/mol
LogP7.34
Rot. Bonds10

About 9-(9-chlorononoxy)anthracene

9-(9-chlorononoxy)anthracene (PubChem CID 21280847) has the molecular formula C23H27ClO and a molecular weight of 354.92 g/mol. Its IUPAC name is 9-(9-chlorononoxy)anthracene.

Molecular Properties

Compound Name9-(9-chlorononoxy)anthracene
PubChem CID21280847
Molecular FormulaC23H27ClO
Molecular Weight354.92 g/mol
Exact Mass354.18
IUPAC Name9-(9-chlorononoxy)anthracene
SMILESClCCCCCCCCCOc1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H27ClO/c24-16-10-4-2-1-3-5-11-17-25-23-21-14-8-6-12-19(21)18-20-13-7-9-15-22(20)23/h6-9,12-15,18H,1-5,10-11,16-17H2
InChIKeyVMUFUDGVLKOVKS-UHFFFAOYSA-N
XLogP7.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.92
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-anthracen-9-yloxybutan-1-amine
CID 14373236
1-(12-anthracen-9-yloxydodecyl)pyrrolidine
CID 21280882
12-(1-methylanthracen-9-yl)oxydodecan-1-amine
CID 21280835
3-anthracen-9-yloxypropan-1-amine;sulfuric acid
CID 21280798
anthracen-9-yloxymethanol
CID 177108126
9-(2-methoxyanthracen-9-yl)oxynonan-1-amine
CID 21280841
9-(4-methoxybutoxy)-1-methylanthracene
CID 87560053
1,3-dichloro-2-(6-chlorohexoxy)benzene
CID 63499301
1-(3-chloropropoxy)naphthalene
CID 12685615
2-(6-chlorohexoxy)-1,3-difluorobenzene
CID 81268506
9,10-dioctoxyanthracene
CID 21304201
6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol
CID 153326321

Frequently Asked Questions

What is the IUPAC name of 9-(9-chlorononoxy)anthracene?
The IUPAC name of 9-(9-chlorononoxy)anthracene (CID 21280847) is 9-(9-chlorononoxy)anthracene.
What is the SMILES notation for 9-(9-chlorononoxy)anthracene?
The canonical SMILES for 9-(9-chlorononoxy)anthracene is ClCCCCCCCCCOc1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-(9-chlorononoxy)anthracene?
The InChIKey is VMUFUDGVLKOVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClO/c24-16-10-4-2-1-3-5-11-17-25-23-21-14-8-6-12-19(21)18-20-13-7-9-15-22(20)23/h6-9,12-15,18H,1-5,10-11,16-17H2.
What are the key properties of 9-(9-chlorononoxy)anthracene?
9-(9-chlorononoxy)anthracene has a molecular weight of 354.92 g/mol, XLogP of 7.34, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-chlorononoxy)anthracene is sourced from PubChem (CID 21280847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).