(1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol

C19H24O3S — CID 101087934

IUPAC(1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol
SMILESCC(C)(C)C[C@H]([C@H](O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24O3S/c1-19(2,3)14-17(18(20)15-10-6-4-7-11-15)23(21,22)16-12-8-5-9-13-16/h4-13,17-18,20H,14H2,1-3H3/t17-,18-/m1/s1
InChIKeyLNDJKAVKMOEBEU-QZTJIDSGSA-N
MW332.47 g/mol
LogP4.00
Rot. Bonds5

About (1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol

(1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol (PubChem CID 101087934) has the molecular formula C19H24O3S and a molecular weight of 332.47 g/mol. Its IUPAC name is (1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol
PubChem CID101087934
Molecular FormulaC19H24O3S
Molecular Weight332.47 g/mol
Exact Mass332.14
IUPAC Name(1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol
SMILESCC(C)(C)C[C@H]([C@H](O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24O3S/c1-19(2,3)14-17(18(20)15-10-6-4-7-11-15)23(21,22)16-12-8-5-9-13-16/h4-13,17-18,20H,14H2,1-3H3/t17-,18-/m1/s1
InChIKeyLNDJKAVKMOEBEU-QZTJIDSGSA-N
XLogP4.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(benzenesulfonyl)-3,3-dimethylbutyl]-trimethylgermane
CID 175532591
2-(benzenesulfonyl)-3-butylselanyl-1-phenylpropan-1-ol
CID 102311776
2,2,6,6-tetramethylheptan-4-ylsulfonylbenzene
CID 102144824
[(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane
CID 10841153
benzenesulfonyl(phenyl)methanol
CID 174895803
(1R,2S)-2-(4-methylphenyl)sulfonyl-1-phenylhex-5-en-1-ol
CID 95987679
2-methylsulfonyl-1-phenylpropane-1,3-diol
CID 102550536
(2R,3S)-3-(benzenesulfonyl)-5-methylhexan-2-ol
CID 100987335
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
3-(benzenesulfonyl)heptan-4-ol
CID 62918058
(1-butylsulfonyl-3,3-dimethylbutyl)sulfonylbenzene
CID 2830964

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol?
The IUPAC name of (1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol (CID 101087934) is (1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol.
What is the SMILES notation for (1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol?
The canonical SMILES for (1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol is CC(C)(C)C[C@H]([C@H](O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol?
The InChIKey is LNDJKAVKMOEBEU-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H24O3S/c1-19(2,3)14-17(18(20)15-10-6-4-7-11-15)23(21,22)16-12-8-5-9-13-16/h4-13,17-18,20H,14H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of (1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol?
(1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol has a molecular weight of 332.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol is sourced from PubChem (CID 101087934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).