(E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol

C19H22O3S — CID 11244411

IUPAC(E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol
SMILESCc1ccc([S@](=O)C[C@H](O)/C=C/COCc2ccccc2)cc1
InChIInChI=1S/C19H22O3S/c1-16-9-11-19(12-10-16)23(21)15-18(20)8-5-13-22-14-17-6-3-2-4-7-17/h2-12,18,20H,13-15H2,1H3/b8-5+/t18-,23-/m1/s1
InChIKeyWSGGAJLCXKXNTQ-FVCMQDLGSA-N
MW330.45 g/mol
LogP3.24
Rot. Bonds8

About (E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol

(E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol (PubChem CID 11244411) has the molecular formula C19H22O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is (E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol
PubChem CID11244411
Molecular FormulaC19H22O3S
Molecular Weight330.45 g/mol
Exact Mass330.13
IUPAC Name(E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol
SMILESCc1ccc([S@](=O)C[C@H](O)/C=C/COCc2ccccc2)cc1
InChIInChI=1S/C19H22O3S/c1-16-9-11-19(12-10-16)23(21)15-18(20)8-5-13-22-14-17-6-3-2-4-7-17/h2-12,18,20H,13-15H2,1H3/b8-5+/t18-,23-/m1/s1
InChIKeyWSGGAJLCXKXNTQ-FVCMQDLGSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 891523
4-(Isopropylsulfonyl)benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 1300413
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
US8815951, Epoxide Hydrolase Inhibitor 4
CID 86766822
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440
1-(4-Fluorophenyl)-4-[(4-methylsulfanylphenyl)methoxy]but-2-yn-1-ol
CID 56968616
4-[(4-Methylsulfanylphenyl)methoxy]-1-(4-propan-2-ylphenyl)but-2-yn-1-ol
CID 56968617
(2R)-3-(Benzyloxy)-2-hydroxypropyl 4-methylbenzene-1-sulfonate
CID 13644871
[4-(Benzylsulfanyl)phenyl]methanol
CID 4349993
(4-Methylsulfanylphenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 24325396
(1R)-3-(benzenesulfonyl)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
CID 44264640
(1S)-1-(4-methylsulfonylphenyl)prop-2-en-1-ol
CID 56676498

Frequently Asked Questions

What is the IUPAC name of (E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol?
The IUPAC name of (E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol (CID 11244411) is (E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol.
What is the SMILES notation for (E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol?
The canonical SMILES for (E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol is Cc1ccc([S@](=O)C[C@H](O)/C=C/COCc2ccccc2)cc1.
What is the InChIKey of (E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol?
The InChIKey is WSGGAJLCXKXNTQ-FVCMQDLGSA-N. The full InChI is InChI=1S/C19H22O3S/c1-16-9-11-19(12-10-16)23(21)15-18(20)8-5-13-22-14-17-6-3-2-4-7-17/h2-12,18,20H,13-15H2,1H3/b8-5+/t18-,23-/m1/s1.
What are the key properties of (E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol?
(E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol has a molecular weight of 330.45 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-5-phenylmethoxypent-3-en-2-ol is sourced from PubChem (CID 11244411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).