3-methylsulfinyl-4-phenylmethoxyphenol

C14H14O3S — CID 22574460

IUPAC3-methylsulfinyl-4-phenylmethoxyphenol
SMILESCS(=O)c1cc(O)ccc1OCc1ccccc1
InChIInChI=1S/C14H14O3S/c1-18(16)14-9-12(15)7-8-13(14)17-10-11-5-3-2-4-6-11/h2-9,15H,10H2,1H3
InChIKeyLRKHNHJSKZSLQL-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.71
Rot. Bonds4

About 3-methylsulfinyl-4-phenylmethoxyphenol

3-methylsulfinyl-4-phenylmethoxyphenol (PubChem CID 22574460) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-methylsulfinyl-4-phenylmethoxyphenol.

Molecular Properties

Compound Name3-methylsulfinyl-4-phenylmethoxyphenol
PubChem CID22574460
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name3-methylsulfinyl-4-phenylmethoxyphenol
SMILESCS(=O)c1cc(O)ccc1OCc1ccccc1
InChIInChI=1S/C14H14O3S/c1-18(16)14-9-12(15)7-8-13(14)17-10-11-5-3-2-4-6-11/h2-9,15H,10H2,1H3
InChIKeyLRKHNHJSKZSLQL-UHFFFAOYSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,8-bis(phenylmethoxy)naphthalen-2-ol
CID 139679004
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
3-phenylmethoxy-4-prop-2-enylphenol
CID 174520142
tert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate
CID 54131327
1-methylsulfinyl-4-phenylmethoxybenzene
CID 70550112
5-phenylmethoxynaphthalen-2-ol
CID 71348952
5-phenyl-2-phenylmethoxyphenol
CID 11994792
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate
CID 174520543
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinyl-4-phenylmethoxyphenol?
The IUPAC name of 3-methylsulfinyl-4-phenylmethoxyphenol (CID 22574460) is 3-methylsulfinyl-4-phenylmethoxyphenol.
What is the SMILES notation for 3-methylsulfinyl-4-phenylmethoxyphenol?
The canonical SMILES for 3-methylsulfinyl-4-phenylmethoxyphenol is CS(=O)c1cc(O)ccc1OCc1ccccc1.
What is the InChIKey of 3-methylsulfinyl-4-phenylmethoxyphenol?
The InChIKey is LRKHNHJSKZSLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-18(16)14-9-12(15)7-8-13(14)17-10-11-5-3-2-4-6-11/h2-9,15H,10H2,1H3.
What are the key properties of 3-methylsulfinyl-4-phenylmethoxyphenol?
3-methylsulfinyl-4-phenylmethoxyphenol has a molecular weight of 262.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinyl-4-phenylmethoxyphenol is sourced from PubChem (CID 22574460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).