1-(3-phenylsulfanylpropoxy)anthracene

C23H20OS — CID 158373238

IUPAC1-(3-phenylsulfanylpropoxy)anthracene
SMILESc1ccc(SCCCOc2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C23H20OS/c1-2-11-21(12-3-1)25-15-7-14-24-23-13-6-10-20-16-18-8-4-5-9-19(18)17-22(20)23/h1-6,8-13,16-17H,7,14-15H2
InChIKeyGUWMXSOZDHCKPZ-UHFFFAOYSA-N
MW344.48 g/mol
LogP6.55
Rot. Bonds6

About 1-(3-phenylsulfanylpropoxy)anthracene

1-(3-phenylsulfanylpropoxy)anthracene (PubChem CID 158373238) has the molecular formula C23H20OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(3-phenylsulfanylpropoxy)anthracene.

Molecular Properties

Compound Name1-(3-phenylsulfanylpropoxy)anthracene
PubChem CID158373238
Molecular FormulaC23H20OS
Molecular Weight344.48 g/mol
Exact Mass344.12
IUPAC Name1-(3-phenylsulfanylpropoxy)anthracene
SMILESc1ccc(SCCCOc2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C23H20OS/c1-2-11-21(12-3-1)25-15-7-14-24-23-13-6-10-20-16-18-8-4-5-9-19(18)17-22(20)23/h1-6,8-13,16-17H,7,14-15H2
InChIKeyGUWMXSOZDHCKPZ-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.48
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-nonoxyanthracene
CID 86193569
1-anthracen-1-ylperoxyanthracene
CID 87977353
1-prop-2-enoxyanthracene
CID 141089148
2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine
CID 2185331
1-propoxybenzo[a]anthracene
CID 172691027
ethyl 19-anthracen-1-yloxynonadecanoate
CID 175607147
ethyl 15-anthracen-1-yloxypentadecanoate
CID 175607190
2-[3-(3-chlorophenyl)sulfanylpropoxy]aniline
CID 62645754
tert-butyl 14-anthracen-1-yloxytetradecanoate
CID 175607187
propan-2-yl 18-anthracen-1-yloxyoctadecanoate
CID 175141945
tert-butyl 11-anthracen-1-yloxyundecanoate
CID 175146311
tert-butyl 17-anthracen-1-yloxyheptadecanoate
CID 175358206

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylsulfanylpropoxy)anthracene?
The IUPAC name of 1-(3-phenylsulfanylpropoxy)anthracene (CID 158373238) is 1-(3-phenylsulfanylpropoxy)anthracene.
What is the SMILES notation for 1-(3-phenylsulfanylpropoxy)anthracene?
The canonical SMILES for 1-(3-phenylsulfanylpropoxy)anthracene is c1ccc(SCCCOc2cccc3cc4ccccc4cc23)cc1.
What is the InChIKey of 1-(3-phenylsulfanylpropoxy)anthracene?
The InChIKey is GUWMXSOZDHCKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20OS/c1-2-11-21(12-3-1)25-15-7-14-24-23-13-6-10-20-16-18-8-4-5-9-19(18)17-22(20)23/h1-6,8-13,16-17H,7,14-15H2.
What are the key properties of 1-(3-phenylsulfanylpropoxy)anthracene?
1-(3-phenylsulfanylpropoxy)anthracene has a molecular weight of 344.48 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylsulfanylpropoxy)anthracene is sourced from PubChem (CID 158373238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).