(1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol

C17H18O3S — CID 14891589

IUPAC(1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol
SMILESC=C([C@H](C)[C@@H](O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18O3S/c1-13(17(18)15-9-5-3-6-10-15)14(2)21(19,20)16-11-7-4-8-12-16/h3-13,17-18H,2H2,1H3/t13-,17+/m0/s1
InChIKeySFWRHQCKPLNKFA-SUMWQHHRSA-N
MW302.39 g/mol
LogP3.34
Rot. Bonds5

About (1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol

(1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol (PubChem CID 14891589) has the molecular formula C17H18O3S and a molecular weight of 302.39 g/mol. Its IUPAC name is (1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol
PubChem CID14891589
Molecular FormulaC17H18O3S
Molecular Weight302.39 g/mol
Exact Mass302.10
IUPAC Name(1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol
SMILESC=C([C@H](C)[C@@H](O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18O3S/c1-13(17(18)15-9-5-3-6-10-15)14(2)21(19,20)16-11-7-4-8-12-16/h3-13,17-18H,2H2,1H3/t13-,17+/m0/s1
InChIKeySFWRHQCKPLNKFA-SUMWQHHRSA-N
XLogP3.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol?
The IUPAC name of (1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol (CID 14891589) is (1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol?
The canonical SMILES for (1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol is C=C([C@H](C)[C@@H](O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol?
The InChIKey is SFWRHQCKPLNKFA-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H18O3S/c1-13(17(18)15-9-5-3-6-10-15)14(2)21(19,20)16-11-7-4-8-12-16/h3-13,17-18H,2H2,1H3/t13-,17+/m0/s1.
What are the key properties of (1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol?
(1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol has a molecular weight of 302.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 14891589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).