2-(4-phenylmethoxyphenyl)sulfonylphenol

C19H16O4S — CID 14178379

IUPAC2-(4-phenylmethoxyphenyl)sulfonylphenol
SMILESO=S(=O)(c1ccc(OCc2ccccc2)cc1)c1ccccc1O
InChIInChI=1S/C19H16O4S/c20-18-8-4-5-9-19(18)24(21,22)17-12-10-16(11-13-17)23-14-15-6-2-1-3-7-15/h1-13,20H,14H2
InChIKeyOAHRHEHKTRXORG-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.80
Rot. Bonds5

About 2-(4-phenylmethoxyphenyl)sulfonylphenol

2-(4-phenylmethoxyphenyl)sulfonylphenol (PubChem CID 14178379) has the molecular formula C19H16O4S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)sulfonylphenol
PubChem CID14178379
Molecular FormulaC19H16O4S
Molecular Weight340.40 g/mol
Exact Mass340.08
IUPAC Name2-(4-phenylmethoxyphenyl)sulfonylphenol
SMILESO=S(=O)(c1ccc(OCc2ccccc2)cc1)c1ccccc1O
InChIInChI=1S/C19H16O4S/c20-18-8-4-5-9-19(18)24(21,22)17-12-10-16(11-13-17)23-14-15-6-2-1-3-7-15/h1-13,20H,14H2
InChIKeyOAHRHEHKTRXORG-UHFFFAOYSA-N
XLogP3.80
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenylmethoxy-2-[4-[[4-[[4-(2-phenylmethoxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylbenzene
CID 139826912
1,3-bis[[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]methyl]benzene
CID 139826967
2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol
CID 67162495
4-phenylmethoxybenzenesulfonic acid;hydrochloride
CID 174829629
1-(benzenesulfonyl)-4-(phenoxymethyl)benzene
CID 925876
1-(4-phenylmethoxyphenyl)sulfonyl-4-[2-[2-[2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 139826974
3,3-dimethyl-1-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]butan-2-one
CID 22360149
2-[4-[2-[2-[4-(2-hydroxyphenyl)sulfonylphenoxy]ethylsulfanyl]ethoxy]phenyl]sulfonylphenol
CID 67163889
1-(benzenesulfonyl)-4-[(4-tert-butylphenoxy)methyl]benzene
CID 2948852
phenoxymethylbenzene;sulfuric acid
CID 68982967
(4-phenylmethoxyphenyl) benzenesulfonate
CID 7227856
4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
CID 22020849

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)sulfonylphenol?
The IUPAC name of 2-(4-phenylmethoxyphenyl)sulfonylphenol (CID 14178379) is 2-(4-phenylmethoxyphenyl)sulfonylphenol.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)sulfonylphenol?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)sulfonylphenol is O=S(=O)(c1ccc(OCc2ccccc2)cc1)c1ccccc1O.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)sulfonylphenol?
The InChIKey is OAHRHEHKTRXORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4S/c20-18-8-4-5-9-19(18)24(21,22)17-12-10-16(11-13-17)23-14-15-6-2-1-3-7-15/h1-13,20H,14H2.
What are the key properties of 2-(4-phenylmethoxyphenyl)sulfonylphenol?
2-(4-phenylmethoxyphenyl)sulfonylphenol has a molecular weight of 340.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)sulfonylphenol is sourced from PubChem (CID 14178379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).