1-(ethoxysulfanylmethyl)-4-phenylbenzene

C15H16OS — CID 129231855

IUPAC1-(ethoxysulfanylmethyl)-4-phenylbenzene
SMILESCCOSCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16OS/c1-2-16-17-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChIKeyHGZMCMYXEGYSDB-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.54
Rot. Bonds5

About 1-(ethoxysulfanylmethyl)-4-phenylbenzene

1-(ethoxysulfanylmethyl)-4-phenylbenzene (PubChem CID 129231855) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(ethoxysulfanylmethyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(ethoxysulfanylmethyl)-4-phenylbenzene
PubChem CID129231855
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-(ethoxysulfanylmethyl)-4-phenylbenzene
SMILESCCOSCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16OS/c1-2-16-17-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChIKeyHGZMCMYXEGYSDB-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-4-phenylbenzene
CID 70520458
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
1-methylsulfanyl-4-[(4-phenylphenyl)sulfanylmethyl]benzene
CID 130199319
1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene
CID 142629020
1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxysulfanylmethyl)-4-phenylbenzene?
The IUPAC name of 1-(ethoxysulfanylmethyl)-4-phenylbenzene (CID 129231855) is 1-(ethoxysulfanylmethyl)-4-phenylbenzene.
What is the SMILES notation for 1-(ethoxysulfanylmethyl)-4-phenylbenzene?
The canonical SMILES for 1-(ethoxysulfanylmethyl)-4-phenylbenzene is CCOSCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(ethoxysulfanylmethyl)-4-phenylbenzene?
The InChIKey is HGZMCMYXEGYSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-2-16-17-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3.
What are the key properties of 1-(ethoxysulfanylmethyl)-4-phenylbenzene?
1-(ethoxysulfanylmethyl)-4-phenylbenzene has a molecular weight of 244.36 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxysulfanylmethyl)-4-phenylbenzene is sourced from PubChem (CID 129231855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).