2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol

C16H18O3S — CID 97072701

IUPAC2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol
SMILESCc1ccccc1[C@@H](c1ccccc1)S(=O)(=O)CCO
InChIInChI=1S/C16H18O3S/c1-13-7-5-6-10-15(13)16(20(18,19)12-11-17)14-8-3-2-4-9-14/h2-10,16-17H,11-12H2,1H3/t16-/m1/s1
InChIKeyWJBJUADOJVRELU-MRXNPFEDSA-N
MW290.38 g/mol
LogP2.49
Rot. Bonds5

About 2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol

2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol (PubChem CID 97072701) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol.

Molecular Properties

Compound Name2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol
PubChem CID97072701
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol
SMILESCc1ccccc1[C@@H](c1ccccc1)S(=O)(=O)CCO
InChIInChI=1S/C16H18O3S/c1-13-7-5-6-10-15(13)16(20(18,19)12-11-17)14-8-3-2-4-9-14/h2-10,16-17H,11-12H2,1H3/t16-/m1/s1
InChIKeyWJBJUADOJVRELU-MRXNPFEDSA-N
XLogP2.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol?
The IUPAC name of 2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol (CID 97072701) is 2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol.
What is the SMILES notation for 2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol?
The canonical SMILES for 2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol is Cc1ccccc1[C@@H](c1ccccc1)S(=O)(=O)CCO.
What is the InChIKey of 2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol?
The InChIKey is WJBJUADOJVRELU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18O3S/c1-13-7-5-6-10-15(13)16(20(18,19)12-11-17)14-8-3-2-4-9-14/h2-10,16-17H,11-12H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol?
2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol has a molecular weight of 290.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(2-methylphenyl)-phenylmethyl]sulfonylethanol is sourced from PubChem (CID 97072701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).