(1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol

C19H22O3S — CID 14891602

IUPAC(1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol
SMILESC=C([C@H](CCC)[C@@H](O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22O3S/c1-3-10-18(19(20)16-11-6-4-7-12-16)15(2)23(21,22)17-13-8-5-9-14-17/h4-9,11-14,18-20H,2-3,10H2,1H3/t18-,19-/m0/s1
InChIKeyHKBIFGBIJDKJTG-OALUTQOASA-N
MW330.45 g/mol
LogP4.12
Rot. Bonds7

About (1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol

(1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol (PubChem CID 14891602) has the molecular formula C19H22O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is (1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol
PubChem CID14891602
Molecular FormulaC19H22O3S
Molecular Weight330.45 g/mol
Exact Mass330.13
IUPAC Name(1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol
SMILESC=C([C@H](CCC)[C@@H](O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22O3S/c1-3-10-18(19(20)16-11-6-4-7-12-16)15(2)23(21,22)17-13-8-5-9-14-17/h4-9,11-14,18-20H,2-3,10H2,1H3/t18-,19-/m0/s1
InChIKeyHKBIFGBIJDKJTG-OALUTQOASA-N
XLogP4.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
Rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol
CID 11515715
(E)-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)methanol
CID 11559695
(3S,4R,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11595883
2-[4-(2-Ethylbenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941221
Rac-2-(4-(2-cyclopropylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52943645
Rac-1,1,1-trifluoro-2-(4-(phenylsulfonyl)phenyl)propan-2-ol
CID 52944762
(2-Methanesulfonylphenyl)methanol
CID 22050773
2-Methanesulfonyl-1-phenylethan-1-ol
CID 220240
(3-Methanesulfonylphenyl)methanol
CID 23549738
1-(Benzylsulfonyl)-2-(4-methylphenyl)-2-propanol
CID 3571091

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol?
The IUPAC name of (1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol (CID 14891602) is (1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol.
What is the SMILES notation for (1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol?
The canonical SMILES for (1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol is C=C([C@H](CCC)[C@@H](O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol?
The InChIKey is HKBIFGBIJDKJTG-OALUTQOASA-N. The full InChI is InChI=1S/C19H22O3S/c1-3-10-18(19(20)16-11-6-4-7-12-16)15(2)23(21,22)17-13-8-5-9-14-17/h4-9,11-14,18-20H,2-3,10H2,1H3/t18-,19-/m0/s1.
What are the key properties of (1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol?
(1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol has a molecular weight of 330.45 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[1-(benzenesulfonyl)ethenyl]-1-phenylpentan-1-ol is sourced from PubChem (CID 14891602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).