9-(ethylsulfanylmethoxymethyl)anthracene

C18H18OS — CID 101098326

IUPAC9-(ethylsulfanylmethoxymethyl)anthracene
SMILESCCSCOCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H18OS/c1-2-20-13-19-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,2,12-13H2,1H3
InChIKeyVMCLRFIVLDRUCH-UHFFFAOYSA-N
MW282.41 g/mol
LogP5.22
Rot. Bonds5

About 9-(ethylsulfanylmethoxymethyl)anthracene

9-(ethylsulfanylmethoxymethyl)anthracene (PubChem CID 101098326) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 9-(ethylsulfanylmethoxymethyl)anthracene.

Molecular Properties

Compound Name9-(ethylsulfanylmethoxymethyl)anthracene
PubChem CID101098326
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Name9-(ethylsulfanylmethoxymethyl)anthracene
SMILESCCSCOCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H18OS/c1-2-20-13-19-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,2,12-13H2,1H3
InChIKeyVMCLRFIVLDRUCH-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.41
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(2-ethoxyethoxymethyl)anthracene
CID 22345017
9-(2-ethoxypropoxymethyl)anthracene
CID 89342158
(3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol
CID 58590288
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
anthracen-9-ylmethyl acetate
CID 27876
9-propan-2-yloxyanthracene
CID 13287348
diethoxysilane;9-(methoxymethyl)anthracene
CID 173247688
9-[3-[2-[3-(anthracen-9-ylmethoxy)prop-1-ynyl]phenyl]prop-2-ynoxymethyl]anthracene
CID 11307590
anthracen-9-yl(triethyl)azanium
CID 118566320
1-[[4-(anthracen-9-ylmethoxymethyl)phenyl]methyl]-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
CID 24857124
butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen
CID 156724477
anthracen-9-ylmethyl N-methylcarbamate
CID 90378707

Frequently Asked Questions

What is the IUPAC name of 9-(ethylsulfanylmethoxymethyl)anthracene?
The IUPAC name of 9-(ethylsulfanylmethoxymethyl)anthracene (CID 101098326) is 9-(ethylsulfanylmethoxymethyl)anthracene.
What is the SMILES notation for 9-(ethylsulfanylmethoxymethyl)anthracene?
The canonical SMILES for 9-(ethylsulfanylmethoxymethyl)anthracene is CCSCOCc1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-(ethylsulfanylmethoxymethyl)anthracene?
The InChIKey is VMCLRFIVLDRUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18OS/c1-2-20-13-19-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,2,12-13H2,1H3.
What are the key properties of 9-(ethylsulfanylmethoxymethyl)anthracene?
9-(ethylsulfanylmethoxymethyl)anthracene has a molecular weight of 282.41 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(ethylsulfanylmethoxymethyl)anthracene is sourced from PubChem (CID 101098326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).