2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol

C18H20O3S — CID 14906348

IUPAC2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol
SMILESCC(C)=CC(C(O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20O3S/c1-14(2)13-17(18(19)15-9-5-3-6-10-15)22(20,21)16-11-7-4-8-12-16/h3-13,17-19H,1-2H3
InChIKeyYEBKSCWRANHBNS-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.53
Rot. Bonds5

About 2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol

2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol (PubChem CID 14906348) has the molecular formula C18H20O3S and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol
PubChem CID14906348
Molecular FormulaC18H20O3S
Molecular Weight316.42 g/mol
Exact Mass316.11
IUPAC Name2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol
SMILESCC(C)=CC(C(O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20O3S/c1-14(2)13-17(18(19)15-9-5-3-6-10-15)22(20,21)16-11-7-4-8-12-16/h3-13,17-19H,1-2H3
InChIKeyYEBKSCWRANHBNS-UHFFFAOYSA-N
XLogP3.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
(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-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
1-(4-Chlorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanol
CID 4328843
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
1-[2-(4-Hydroxymethylphenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene
CID 10426661
(3S,4S,5S)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11538009

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol?
The IUPAC name of 2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol (CID 14906348) is 2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol.
What is the SMILES notation for 2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol?
The canonical SMILES for 2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol is CC(C)=CC(C(O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol?
The InChIKey is YEBKSCWRANHBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3S/c1-14(2)13-17(18(19)15-9-5-3-6-10-15)22(20,21)16-11-7-4-8-12-16/h3-13,17-19H,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol?
2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol has a molecular weight of 316.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-1-ol is sourced from PubChem (CID 14906348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).