1,8-dichloro-9,10-diethoxyanthracene

C18H16Cl2O2 — CID 139930191

IUPAC1,8-dichloro-9,10-diethoxyanthracene
SMILESCCOc1c2cccc(Cl)c2c(OCC)c2c(Cl)cccc12
InChIInChI=1S/C18H16Cl2O2/c1-3-21-17-11-7-5-9-13(19)15(11)18(22-4-2)16-12(17)8-6-10-14(16)20/h5-10H,3-4H2,1-2H3
InChIKeyNNUKMVFOTUJDEX-UHFFFAOYSA-N
MW335.23 g/mol
LogP6.10
Rot. Bonds4

About 1,8-dichloro-9,10-diethoxyanthracene

1,8-dichloro-9,10-diethoxyanthracene (PubChem CID 139930191) has the molecular formula C18H16Cl2O2 and a molecular weight of 335.23 g/mol. Its IUPAC name is 1,8-dichloro-9,10-diethoxyanthracene.

Molecular Properties

Compound Name1,8-dichloro-9,10-diethoxyanthracene
PubChem CID139930191
Molecular FormulaC18H16Cl2O2
Molecular Weight335.23 g/mol
Exact Mass334.05
IUPAC Name1,8-dichloro-9,10-diethoxyanthracene
SMILESCCOc1c2cccc(Cl)c2c(OCC)c2c(Cl)cccc12
InChIInChI=1S/C18H16Cl2O2/c1-3-21-17-11-7-5-9-13(19)15(11)18(22-4-2)16-12(17)8-6-10-14(16)20/h5-10H,3-4H2,1-2H3
InChIKeyNNUKMVFOTUJDEX-UHFFFAOYSA-N
XLogP6.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.23
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-ethoxy-2-methyl-1-benzothiophene
CID 130884989
1-chloro-9,10-didodecoxyanthracene
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CID 131034318
1,5-dichloro-4-ethoxyisoquinoline
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1,8-dichloro-9,10-bis(2-methylbutan-2-yloxy)anthracene
CID 139930082
1,5-dichloro-9,10-di(pentan-2-yloxy)anthracene
CID 139930127
1-chloro-2-ethoxy-3-propylbenzene
CID 143260119
(3-chloro-2-ethoxyphenyl)hydrazine
CID 130779145
1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride
CID 163284852
2-(3-chloro-2-ethoxyphenyl)acetic acid
CID 75525846
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine
CID 58692463
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109

Frequently Asked Questions

What is the IUPAC name of 1,8-dichloro-9,10-diethoxyanthracene?
The IUPAC name of 1,8-dichloro-9,10-diethoxyanthracene (CID 139930191) is 1,8-dichloro-9,10-diethoxyanthracene.
What is the SMILES notation for 1,8-dichloro-9,10-diethoxyanthracene?
The canonical SMILES for 1,8-dichloro-9,10-diethoxyanthracene is CCOc1c2cccc(Cl)c2c(OCC)c2c(Cl)cccc12.
What is the InChIKey of 1,8-dichloro-9,10-diethoxyanthracene?
The InChIKey is NNUKMVFOTUJDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2O2/c1-3-21-17-11-7-5-9-13(19)15(11)18(22-4-2)16-12(17)8-6-10-14(16)20/h5-10H,3-4H2,1-2H3.
What are the key properties of 1,8-dichloro-9,10-diethoxyanthracene?
1,8-dichloro-9,10-diethoxyanthracene has a molecular weight of 335.23 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dichloro-9,10-diethoxyanthracene is sourced from PubChem (CID 139930191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).