1-ethoxy-4-(phenylsulfanyloxymethyl)benzene

C15H16O2S — CID 19993322

IUPAC1-ethoxy-4-(phenylsulfanyloxymethyl)benzene
SMILESCCOc1ccc(COSc2ccccc2)cc1
InChIInChI=1S/C15H16O2S/c1-2-16-14-10-8-13(9-11-14)12-17-18-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3
InChIKeyAACDEFKSZFRLFU-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.31
Rot. Bonds6

About 1-ethoxy-4-(phenylsulfanyloxymethyl)benzene

1-ethoxy-4-(phenylsulfanyloxymethyl)benzene (PubChem CID 19993322) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-ethoxy-4-(phenylsulfanyloxymethyl)benzene.

Molecular Properties

Compound Name1-ethoxy-4-(phenylsulfanyloxymethyl)benzene
PubChem CID19993322
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1-ethoxy-4-(phenylsulfanyloxymethyl)benzene
SMILESCCOc1ccc(COSc2ccccc2)cc1
InChIInChI=1S/C15H16O2S/c1-2-16-14-10-8-13(9-11-14)12-17-18-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3
InChIKeyAACDEFKSZFRLFU-UHFFFAOYSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-4-(phenylsulfanyloxymethyl)benzene;pentahydrofluoride
CID 67939452
1-methyl-4-(phenylsulfanyloxymethyl)benzene
CID 10014085
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
ethoxybenzene chloride
CID 21193593
1-ethoxy-4-methoxysulfanylbenzene
CID 117035958
(4-ethoxyphenyl)methyl benzoate
CID 91595481
ethoxybenzene;molecular iodine
CID 67763605
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
ethoxybenzene;ethoxyethane
CID 67764259
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
1-ethoxy-4-(2-methyl-1-phenylmethoxypropan-2-yl)benzene
CID 142632162

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(phenylsulfanyloxymethyl)benzene?
The IUPAC name of 1-ethoxy-4-(phenylsulfanyloxymethyl)benzene (CID 19993322) is 1-ethoxy-4-(phenylsulfanyloxymethyl)benzene.
What is the SMILES notation for 1-ethoxy-4-(phenylsulfanyloxymethyl)benzene?
The canonical SMILES for 1-ethoxy-4-(phenylsulfanyloxymethyl)benzene is CCOc1ccc(COSc2ccccc2)cc1.
What is the InChIKey of 1-ethoxy-4-(phenylsulfanyloxymethyl)benzene?
The InChIKey is AACDEFKSZFRLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-2-16-14-10-8-13(9-11-14)12-17-18-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3.
What are the key properties of 1-ethoxy-4-(phenylsulfanyloxymethyl)benzene?
1-ethoxy-4-(phenylsulfanyloxymethyl)benzene has a molecular weight of 260.36 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(phenylsulfanyloxymethyl)benzene is sourced from PubChem (CID 19993322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).