2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol

C20H18O4S — CID 132917189

IUPAC2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol
SMILESCOc1ccc(C(c2ccccc2)S(=O)(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C20H18O4S/c1-24-16-12-13-18(19(21)14-16)20(15-8-4-2-5-9-15)25(22,23)17-10-6-3-7-11-17/h2-14,20-21H,1H3
InChIKeyNROCPCPUFWFCNN-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.96
Rot. Bonds5

About 2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol

2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol (PubChem CID 132917189) has the molecular formula C20H18O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol
PubChem CID132917189
Molecular FormulaC20H18O4S
Molecular Weight354.43 g/mol
Exact Mass354.09
IUPAC Name2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol
SMILESCOc1ccc(C(c2ccccc2)S(=O)(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C20H18O4S/c1-24-16-12-13-18(19(21)14-16)20(15-8-4-2-5-9-15)25(22,23)17-10-6-3-7-11-17/h2-14,20-21H,1H3
InChIKeyNROCPCPUFWFCNN-UHFFFAOYSA-N
XLogP3.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene
CID 101481324
5-methoxy-2-(1-phenylbut-3-enyl)phenol
CID 53381202
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
3-[benzenesulfonyl-(3-methoxyphenyl)methyl]-1H-indole
CID 134850362
5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol
CID 43189582
5-methoxy-2-[phenyl(propylamino)methyl]phenol
CID 24705349
3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22680594
2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one
CID 151498938
2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol
CID 65244608
2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde
CID 159871714
2-[(3-aminopropylamino)-phenylmethyl]-5-methoxyphenol
CID 60889877

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol?
The IUPAC name of 2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol (CID 132917189) is 2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol is COc1ccc(C(c2ccccc2)S(=O)(=O)c2ccccc2)c(O)c1.
What is the InChIKey of 2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol?
The InChIKey is NROCPCPUFWFCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4S/c1-24-16-12-13-18(19(21)14-16)20(15-8-4-2-5-9-15)25(22,23)17-10-6-3-7-11-17/h2-14,20-21H,1H3.
What are the key properties of 2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol?
2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol has a molecular weight of 354.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol is sourced from PubChem (CID 132917189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).