(2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran

C19H20O3S — CID 102433132

IUPAC(2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran
SMILESCc1ccc(S(=O)C2=CCO[C@@H]2COCc2ccccc2)cc1
InChIInChI=1S/C19H20O3S/c1-15-7-9-17(10-8-15)23(20)19-11-12-22-18(19)14-21-13-16-5-3-2-4-6-16/h2-11,18H,12-14H2,1H3/t18-,23?/m1/s1
InChIKeyXHHBBBVNWSSYBC-FKSKYRLFSA-N
MW328.43 g/mol
LogP3.60
Rot. Bonds6

About (2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran

(2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran (PubChem CID 102433132) has the molecular formula C19H20O3S and a molecular weight of 328.43 g/mol. Its IUPAC name is (2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran.

Molecular Properties

Compound Name(2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran
PubChem CID102433132
Molecular FormulaC19H20O3S
Molecular Weight328.43 g/mol
Exact Mass328.11
IUPAC Name(2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran
SMILESCc1ccc(S(=O)C2=CCO[C@@H]2COCc2ccccc2)cc1
InChIInChI=1S/C19H20O3S/c1-15-7-9-17(10-8-15)23(20)19-11-12-22-18(19)14-21-13-16-5-3-2-4-6-16/h2-11,18H,12-14H2,1H3/t18-,23?/m1/s1
InChIKeyXHHBBBVNWSSYBC-FKSKYRLFSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol
CID 51032132
[(2S,3R,6S)-3-(cyclohexylamino)-4-(4-methylphenyl)sulfinyl-2-phenylmethoxy-3,6-dihydro-2H-pyran-6-yl]methanol
CID 102502475
(1R,2S,4S,5R)-2-[(1R)-1,2-bis(phenylmethoxy)ethyl]-4-(4-methylphenyl)sulfinyl-3,6-dioxabicyclo[3.1.0]hexane
CID 15946987
3-ethyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 71242586
3-methyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 72570381
4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 154712027
(6S)-3-methyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 59819056
1-(4-methylphenyl)-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 102492151
(2S)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 46862703
(2R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 130750045
(5S)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran?
The IUPAC name of (2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran (CID 102433132) is (2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran.
What is the SMILES notation for (2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran?
The canonical SMILES for (2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran is Cc1ccc(S(=O)C2=CCO[C@@H]2COCc2ccccc2)cc1.
What is the InChIKey of (2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran?
The InChIKey is XHHBBBVNWSSYBC-FKSKYRLFSA-N. The full InChI is InChI=1S/C19H20O3S/c1-15-7-9-17(10-8-15)23(20)19-11-12-22-18(19)14-21-13-16-5-3-2-4-6-16/h2-11,18H,12-14H2,1H3/t18-,23?/m1/s1.
What are the key properties of (2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran?
(2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran has a molecular weight of 328.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran is sourced from PubChem (CID 102433132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).