(1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol

C20H24O3S — CID 51032132

IUPAC(1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol
SMILESCc1ccc([S@@](=O)C[C@@H](O)[C@@H]2C[C@H]2COCc2ccccc2)cc1
InChIInChI=1S/C20H24O3S/c1-15-7-9-18(10-8-15)24(22)14-20(21)19-11-17(19)13-23-12-16-5-3-2-4-6-16/h2-10,17,19-21H,11-14H2,1H3/t17-,19+,20+,24-/m0/s1
InChIKeyMBGFUEAMYKWHIT-PLLBJWBMSA-N
MW344.48 g/mol
LogP3.32
Rot. Bonds8

About (1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol

(1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol (PubChem CID 51032132) has the molecular formula C20H24O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is (1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name(1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol
PubChem CID51032132
Molecular FormulaC20H24O3S
Molecular Weight344.48 g/mol
Exact Mass344.14
IUPAC Name(1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol
SMILESCc1ccc([S@@](=O)C[C@@H](O)[C@@H]2C[C@H]2COCc2ccccc2)cc1
InChIInChI=1S/C20H24O3S/c1-15-7-9-18(10-8-15)24(22)14-20(21)19-11-17(19)13-23-12-16-5-3-2-4-6-16/h2-10,17,19-21H,11-14H2,1H3/t17-,19+,20+,24-/m0/s1
InChIKeyMBGFUEAMYKWHIT-PLLBJWBMSA-N
XLogP3.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol with MolForge

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Related Compounds

(2R)-3-(4-methylphenyl)sulfinyl-2-(phenylmethoxymethyl)-2,5-dihydrofuran
CID 102433132
(2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol
CID 101452810
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
(4R,5R)-2,2-dimethyl-4,5-bis[(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylmethoxyethyl]-1,3-dioxolane
CID 10580061
(4S,5S)-2,2-dimethyl-4,5-bis[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenylmethoxyethyl]-1,3-dioxolane
CID 10794279
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
[(2R,5S)-5-[methyl(sulfino)amino]-2,3-bis(phenylmethoxy)cyclohexyl]methoxymethylbenzene
CID 146430318
1-(2,2-dimethoxyethylsulfinyl)-4-methylbenzene
CID 66220895
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene
CID 10923906
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol?
The IUPAC name of (1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol (CID 51032132) is (1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol.
What is the SMILES notation for (1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol?
The canonical SMILES for (1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol is Cc1ccc([S@@](=O)C[C@@H](O)[C@@H]2C[C@H]2COCc2ccccc2)cc1.
What is the InChIKey of (1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol?
The InChIKey is MBGFUEAMYKWHIT-PLLBJWBMSA-N. The full InChI is InChI=1S/C20H24O3S/c1-15-7-9-18(10-8-15)24(22)14-20(21)19-11-17(19)13-23-12-16-5-3-2-4-6-16/h2-10,17,19-21H,11-14H2,1H3/t17-,19+,20+,24-/m0/s1.
What are the key properties of (1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol?
(1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol has a molecular weight of 344.48 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]ethanol is sourced from PubChem (CID 51032132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).