4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene

C15H15IOS — CID 91878147

IUPAC4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene
SMILESCCc1ccc(Sc2ccc(I)cc2)c(OC)c1
InChIInChI=1S/C15H15IOS/c1-3-11-4-9-15(14(10-11)17-2)18-13-7-5-12(16)6-8-13/h4-10H,3H2,1-2H3
InChIKeyKDFVHAWHLDEFTO-UHFFFAOYSA-N
MW370.26 g/mol
LogP5.01
Rot. Bonds4

About 4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene

4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene (PubChem CID 91878147) has the molecular formula C15H15IOS and a molecular weight of 370.26 g/mol. Its IUPAC name is 4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene.

Molecular Properties

Compound Name4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene
PubChem CID91878147
Molecular FormulaC15H15IOS
Molecular Weight370.26 g/mol
Exact Mass369.99
IUPAC Name4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene
SMILESCCc1ccc(Sc2ccc(I)cc2)c(OC)c1
InChIInChI=1S/C15H15IOS/c1-3-11-4-9-15(14(10-11)17-2)18-13-7-5-12(16)6-8-13/h4-10H,3H2,1-2H3
InChIKeyKDFVHAWHLDEFTO-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.26
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene
CID 91879142
5-ethyl-2-(4-iodophenyl)sulfanylaniline
CID 91878146
2-[4-(4-iodo-2-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91877992
4-(4-iodo-2-methoxyphenyl)sulfanylaniline
CID 91879956
4-(4-iodo-2-methoxyphenyl)sulfanylphenol
CID 91879560
5-ethyl-2-(4-iodophenyl)sulfanylbenzonitrile
CID 91878144
4-(4-ethylphenyl)sulfanyl-2-iodo-1-methoxybenzene
CID 91879120
4-[4-(carboxymethyl)-2-methoxyphenyl]sulfanylbenzoic acid
CID 91878667
4-(4-ethylphenyl)sulfanyl-3-iodoaniline
CID 91880194
4-ethyl-1-(4-methoxyphenyl)sulfanyl-2-nitrobenzene
CID 91879140
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952
4-(iodomethyl)-2-methoxy-1-methylsulfanylbenzene
CID 91881553

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene?
The IUPAC name of 4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene (CID 91878147) is 4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene.
What is the SMILES notation for 4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene?
The canonical SMILES for 4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene is CCc1ccc(Sc2ccc(I)cc2)c(OC)c1.
What is the InChIKey of 4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene?
The InChIKey is KDFVHAWHLDEFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IOS/c1-3-11-4-9-15(14(10-11)17-2)18-13-7-5-12(16)6-8-13/h4-10H,3H2,1-2H3.
What are the key properties of 4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene?
4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene has a molecular weight of 370.26 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-iodophenyl)sulfanyl-2-methoxybenzene is sourced from PubChem (CID 91878147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).