(3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol

C19H22O2S — CID 25216070

IUPAC(3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol
SMILESC=C(c1ccccc1[S@@](=O)c1ccc(C)cc1)[C@@H](O)C(C)C
InChIInChI=1S/C19H22O2S/c1-13(2)19(20)15(4)17-7-5-6-8-18(17)22(21)16-11-9-14(3)10-12-16/h5-13,19-20H,4H2,1-3H3/t19-,22-/m0/s1
InChIKeyKWLYVGOWBWSXDX-UGKGYDQZSA-N
MW314.45 g/mol
LogP4.19
Rot. Bonds5

About (3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol

(3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol (PubChem CID 25216070) has the molecular formula C19H22O2S and a molecular weight of 314.45 g/mol. Its IUPAC name is (3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol.

Molecular Properties

Compound Name(3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol
PubChem CID25216070
Molecular FormulaC19H22O2S
Molecular Weight314.45 g/mol
Exact Mass314.13
IUPAC Name(3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol
SMILESC=C(c1ccccc1[S@@](=O)c1ccc(C)cc1)[C@@H](O)C(C)C
InChIInChI=1S/C19H22O2S/c1-13(2)19(20)15(4)17-7-5-6-8-18(17)22(21)16-11-9-14(3)10-12-16/h5-13,19-20H,4H2,1-3H3/t19-,22-/m0/s1
InChIKeyKWLYVGOWBWSXDX-UGKGYDQZSA-N
XLogP4.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-bromoethyl]-2-(4-methylphenyl)sulfinylbenzene
CID 102282736
(3S)-2-methyl-3-[2-(4-methylphenyl)sulfinylphenyl]butan-2-ol
CID 101071114
(1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol
CID 102211608
(1S,2S)-2-fluoro-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-1-phenylethanol
CID 135061397
1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene
CID 102101536
4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-4-enenitrile
CID 62705083
trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane
CID 85436146
1-(4-methylphenyl)sulfinyl-2-propylbenzene
CID 85436148
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
4-methyl-2-[(S)-(4-methylphenyl)sulfinyl]-4-phenylselanylpent-1-en-3-ol
CID 10992874
(2R)-2-[(1S,2S)-2-[(1S)-1-hydroxy-2-methylpropyl]-3-oxocyclopentyl]-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]propanenitrile
CID 139092521
(1R,2S)-1-(4-chlorophenyl)-2-fluoro-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethanol
CID 135061588

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol?
The IUPAC name of (3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol (CID 25216070) is (3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol.
What is the SMILES notation for (3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol?
The canonical SMILES for (3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol is C=C(c1ccccc1[S@@](=O)c1ccc(C)cc1)[C@@H](O)C(C)C.
What is the InChIKey of (3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol?
The InChIKey is KWLYVGOWBWSXDX-UGKGYDQZSA-N. The full InChI is InChI=1S/C19H22O2S/c1-13(2)19(20)15(4)17-7-5-6-8-18(17)22(21)16-11-9-14(3)10-12-16/h5-13,19-20H,4H2,1-3H3/t19-,22-/m0/s1.
What are the key properties of (3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol?
(3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol has a molecular weight of 314.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]pent-1-en-3-ol is sourced from PubChem (CID 25216070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).