(S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol

C22H22O4S — CID 101253465

IUPAC(S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol
SMILESCOc1ccc(OC)c(S(=O)c2ccc(C)cc2)c1[C@@H](O)c1ccccc1
InChIInChI=1S/C22H22O4S/c1-15-9-11-17(12-10-15)27(24)22-19(26-3)14-13-18(25-2)20(22)21(23)16-7-5-4-6-8-16/h4-14,21,23H,1-3H3/t21-,27?/m0/s1
InChIKeyCHDNDOZIAGHXGF-LWAJAQLZSA-N
MW382.48 g/mol
LogP4.26
Rot. Bonds6

About (S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol

(S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol (PubChem CID 101253465) has the molecular formula C22H22O4S and a molecular weight of 382.48 g/mol. Its IUPAC name is (S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol
PubChem CID101253465
Molecular FormulaC22H22O4S
Molecular Weight382.48 g/mol
Exact Mass382.12
IUPAC Name(S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol
SMILESCOc1ccc(OC)c(S(=O)c2ccc(C)cc2)c1[C@@H](O)c1ccccc1
InChIInChI=1S/C22H22O4S/c1-15-9-11-17(12-10-15)27(24)22-19(26-3)14-13-18(25-2)20(22)21(23)16-7-5-4-6-8-16/h4-14,21,23H,1-3H3/t21-,27?/m0/s1
InChIKeyCHDNDOZIAGHXGF-LWAJAQLZSA-N
XLogP4.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol?
The IUPAC name of (S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol (CID 101253465) is (S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol.
What is the SMILES notation for (S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol?
The canonical SMILES for (S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol is COc1ccc(OC)c(S(=O)c2ccc(C)cc2)c1[C@@H](O)c1ccccc1.
What is the InChIKey of (S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol?
The InChIKey is CHDNDOZIAGHXGF-LWAJAQLZSA-N. The full InChI is InChI=1S/C22H22O4S/c1-15-9-11-17(12-10-15)27(24)22-19(26-3)14-13-18(25-2)20(22)21(23)16-7-5-4-6-8-16/h4-14,21,23H,1-3H3/t21-,27?/m0/s1.
What are the key properties of (S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol?
(S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol has a molecular weight of 382.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[3,6-dimethoxy-2-(4-methylphenyl)sulfinylphenyl]-phenylmethanol is sourced from PubChem (CID 101253465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).