1-methylsulfinyl-4-phenylmethoxybenzene

C14H14O2S — CID 70550112

IUPAC1-methylsulfinyl-4-phenylmethoxybenzene
SMILESCS(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H14O2S/c1-17(15)14-9-7-13(8-10-14)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyYSERLQZMSPLGFW-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.00
Rot. Bonds4

About 1-methylsulfinyl-4-phenylmethoxybenzene

1-methylsulfinyl-4-phenylmethoxybenzene (PubChem CID 70550112) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-methylsulfinyl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-methylsulfinyl-4-phenylmethoxybenzene
PubChem CID70550112
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-methylsulfinyl-4-phenylmethoxybenzene
SMILESCS(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H14O2S/c1-17(15)14-9-7-13(8-10-14)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyYSERLQZMSPLGFW-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-phenylmethoxy-4-propoxybenzene
CID 10728874
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
4-phenylmethoxyaniline
CID 159966727
1-(2-fluoroethoxy)-4-methylsulfinylbenzene
CID 15058664
4-phenylmethoxybenzoic acid
CID 68896574
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
phenoxymethylbenzene;sulfuric acid
CID 68982967

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyl-4-phenylmethoxybenzene?
The IUPAC name of 1-methylsulfinyl-4-phenylmethoxybenzene (CID 70550112) is 1-methylsulfinyl-4-phenylmethoxybenzene.
What is the SMILES notation for 1-methylsulfinyl-4-phenylmethoxybenzene?
The canonical SMILES for 1-methylsulfinyl-4-phenylmethoxybenzene is CS(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-methylsulfinyl-4-phenylmethoxybenzene?
The InChIKey is YSERLQZMSPLGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-17(15)14-9-7-13(8-10-14)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 1-methylsulfinyl-4-phenylmethoxybenzene?
1-methylsulfinyl-4-phenylmethoxybenzene has a molecular weight of 246.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyl-4-phenylmethoxybenzene is sourced from PubChem (CID 70550112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).