1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene

C14H14O2S — CID 40517522

IUPAC1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene
SMILESCOc1ccc(C[S@@](=O)c2ccccc2)cc1
InChIInChI=1S/C14H14O2S/c1-16-13-9-7-12(8-10-13)11-17(15)14-5-3-2-4-6-14/h2-10H,11H2,1H3/t17-/m1/s1
InChIKeyPLCOQNKYWAGENH-QGZVFWFLSA-N
MW246.33 g/mol
LogP3.00
Rot. Bonds4

About 1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene

1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene (PubChem CID 40517522) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene
PubChem CID40517522
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene
SMILESCOc1ccc(C[S@@](=O)c2ccccc2)cc1
InChIInChI=1S/C14H14O2S/c1-16-13-9-7-12(8-10-13)11-17(15)14-5-3-2-4-6-14/h2-10H,11H2,1H3/t17-/m1/s1
InChIKeyPLCOQNKYWAGENH-QGZVFWFLSA-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

4-[(4-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 60710231
4-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 61368872
2-[4-[(4-methoxyphenyl)methylsulfinyl]phenyl]acetic acid
CID 64927206
3-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81181267
1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene
CID 10215306
potassium [4-[(4-methoxyphenyl)methylsulfinyl]phenyl]methanesulfonate
CID 102506538
benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane
CID 100953226
2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline
CID 81186594
5-[[(S)-(4-methoxyphenyl)sulfinyl]methyl]furan-2-carboxylic acid
CID 51550617
1-(ethylsulfinylmethyl)-4-methoxybenzene
CID 11074368
2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol
CID 11864321
2-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 60982599

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene?
The IUPAC name of 1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene (CID 40517522) is 1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene?
The canonical SMILES for 1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene is COc1ccc(C[S@@](=O)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene?
The InChIKey is PLCOQNKYWAGENH-QGZVFWFLSA-N. The full InChI is InChI=1S/C14H14O2S/c1-16-13-9-7-12(8-10-13)11-17(15)14-5-3-2-4-6-14/h2-10H,11H2,1H3/t17-/m1/s1.
What are the key properties of 1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene?
1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene 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-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene is sourced from PubChem (CID 40517522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).