(2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol

C19H24O2S — CID 101452810

IUPAC(2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol
SMILESCc1ccc(S(=O)C[C@@H](C)[C@@H](O)CCc2ccccc2)cc1
InChIInChI=1S/C19H24O2S/c1-15-8-11-18(12-9-15)22(21)14-16(2)19(20)13-10-17-6-4-3-5-7-17/h3-9,11-12,16,19-20H,10,13-14H2,1-2H3/t16-,19+,22?/m1/s1
InChIKeyPJZJERUSHNHPKX-IDKMENSTSA-N
MW316.47 g/mol
LogP3.73
Rot. Bonds7

About (2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol

(2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol (PubChem CID 101452810) has the molecular formula C19H24O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is (2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol
PubChem CID101452810
Molecular FormulaC19H24O2S
Molecular Weight316.47 g/mol
Exact Mass316.15
IUPAC Name(2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol
SMILESCc1ccc(S(=O)C[C@@H](C)[C@@H](O)CCc2ccccc2)cc1
InChIInChI=1S/C19H24O2S/c1-15-8-11-18(12-9-15)22(21)14-16(2)19(20)13-10-17-6-4-3-5-7-17/h3-9,11-12,16,19-20H,10,13-14H2,1-2H3/t16-,19+,22?/m1/s1
InChIKeyPJZJERUSHNHPKX-IDKMENSTSA-N
XLogP3.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14025349
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CID 10932431
(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
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(2R,3S)-1-bromo-4-(4-methylphenyl)sulfinylbutane-2,3-diol
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CID 101158828
(2S)-1-[(S)-phenylsulfinyl]propan-2-ol
CID 11206200
5-(4-methylphenyl)pentane-2,3-diol
CID 67119841
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
4-phenyl-2-propan-2-ylsulfinylbutanoic acid
CID 123112541
1-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfinyl-3-phenylpropan-2-ol
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[1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl] 4-methylbenzenesulfinate
CID 122222828

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol?
The IUPAC name of (2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol (CID 101452810) is (2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol.
What is the SMILES notation for (2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol?
The canonical SMILES for (2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol is Cc1ccc(S(=O)C[C@@H](C)[C@@H](O)CCc2ccccc2)cc1.
What is the InChIKey of (2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol?
The InChIKey is PJZJERUSHNHPKX-IDKMENSTSA-N. The full InChI is InChI=1S/C19H24O2S/c1-15-8-11-18(12-9-15)22(21)14-16(2)19(20)13-10-17-6-4-3-5-7-17/h3-9,11-12,16,19-20H,10,13-14H2,1-2H3/t16-,19+,22?/m1/s1.
What are the key properties of (2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol?
(2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol has a molecular weight of 316.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol is sourced from PubChem (CID 101452810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).