(Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol

C22H28O2S — CID 102376307

IUPAC(Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol
SMILESCCCC[C@@H](O)/C=C(/[C@@H](C)c1ccccc1)S(=O)c1ccc(C)cc1
InChIInChI=1S/C22H28O2S/c1-4-5-11-20(23)16-22(18(3)19-9-7-6-8-10-19)25(24)21-14-12-17(2)13-15-21/h6-10,12-16,18,20,23H,4-5,11H2,1-3H3/b22-16-/t18-,20+,25?/m0/s1
InChIKeyMOSAAXNOQUNYBX-UXFUFBLOSA-N
MW356.53 g/mol
LogP5.34
Rot. Bonds8

About (Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol

(Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol (PubChem CID 102376307) has the molecular formula C22H28O2S and a molecular weight of 356.53 g/mol. Its IUPAC name is (Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol.

Molecular Properties

Compound Name(Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol
PubChem CID102376307
Molecular FormulaC22H28O2S
Molecular Weight356.53 g/mol
Exact Mass356.18
IUPAC Name(Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol
SMILESCCCC[C@@H](O)/C=C(/[C@@H](C)c1ccccc1)S(=O)c1ccc(C)cc1
InChIInChI=1S/C22H28O2S/c1-4-5-11-20(23)16-22(18(3)19-9-7-6-8-10-19)25(24)21-14-12-17(2)13-15-21/h6-10,12-16,18,20,23H,4-5,11H2,1-3H3/b22-16-/t18-,20+,25?/m0/s1
InChIKeyMOSAAXNOQUNYBX-UXFUFBLOSA-N
XLogP5.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.53
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol
CID 102376298
(Z,5S,8R)-8-ethyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol
CID 102376299
1-methyl-4-[(R)-[(Z,2S)-2-phenylhex-3-en-3-yl]sulfinyl]benzene
CID 10780444
1-methyl-4-[(E,2S)-2-phenylhex-3-en-3-yl]sulfinylbenzene
CID 14815272
(Z,1S)-2-(4-methylphenyl)sulfinyl-1-phenylhept-2-en-1-ol
CID 101210456
(5R,6E,8E)-7-(4-methylphenyl)sulfinyldodeca-6,8-dien-5-ol
CID 102091567
(2Z)-2-[(4-methylphenyl)sulfinylmethylidene]-1-phenylheptan-1-ol
CID 177426448
(3R)-3-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]-2-phenylethenyl]heptanal
CID 11256752
(2R,3R)-2-(hydroxymethyl)-3-[(Z)-1-(4-methylphenyl)sulfinyl-2-phenylethenyl]heptanal
CID 102034953
(E)-2-methyl-4-(4-methylphenyl)sulfinyldec-3-en-5-one
CID 102516236
(2R)-2-phenylheptan-3-ol
CID 91322845
1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene
CID 134875983

Frequently Asked Questions

What is the IUPAC name of (Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol?
The IUPAC name of (Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol (CID 102376307) is (Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol.
What is the SMILES notation for (Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol?
The canonical SMILES for (Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol is CCCC[C@@H](O)/C=C(/[C@@H](C)c1ccccc1)S(=O)c1ccc(C)cc1.
What is the InChIKey of (Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol?
The InChIKey is MOSAAXNOQUNYBX-UXFUFBLOSA-N. The full InChI is InChI=1S/C22H28O2S/c1-4-5-11-20(23)16-22(18(3)19-9-7-6-8-10-19)25(24)21-14-12-17(2)13-15-21/h6-10,12-16,18,20,23H,4-5,11H2,1-3H3/b22-16-/t18-,20+,25?/m0/s1.
What are the key properties of (Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol?
(Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol has a molecular weight of 356.53 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol is sourced from PubChem (CID 102376307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).