3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol

C15H24O3S — CID 63200994

IUPAC3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol
SMILESCCCS(=O)(=O)c1ccc(CC(O)C(C)(C)C)cc1
InChIInChI=1S/C15H24O3S/c1-5-10-19(17,18)13-8-6-12(7-9-13)11-14(16)15(2,3)4/h6-9,14,16H,5,10-11H2,1-4H3
InChIKeyBTTDCNMJNTVUEJ-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.82
Rot. Bonds5

About 3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol

3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol (PubChem CID 63200994) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol
PubChem CID63200994
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol
SMILESCCCS(=O)(=O)c1ccc(CC(O)C(C)(C)C)cc1
InChIInChI=1S/C15H24O3S/c1-5-10-19(17,18)13-8-6-12(7-9-13)11-14(16)15(2,3)4/h6-9,14,16H,5,10-11H2,1-4H3
InChIKeyBTTDCNMJNTVUEJ-UHFFFAOYSA-N
XLogP2.82
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol
CID 63205185
4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide
CID 63201446
(4-propylsulfonylphenyl)methanamine
CID 57438061
3-(4-propylsulfonylphenyl)propanoic acid
CID 43140837
4-propylsulfonylbenzenesulfonic acid
CID 163962227
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
CID 60798446
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
N-(4-propylsulfonylphenyl)hydroxylamine
CID 130500550
1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62394123
4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol
CID 107153331
methyl 3-(4-propylsulfonylphenyl)propanoate
CID 82550632

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol (CID 63200994) is 3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol is CCCS(=O)(=O)c1ccc(CC(O)C(C)(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol?
The InChIKey is BTTDCNMJNTVUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c1-5-10-19(17,18)13-8-6-12(7-9-13)11-14(16)15(2,3)4/h6-9,14,16H,5,10-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol?
3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol has a molecular weight of 284.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol is sourced from PubChem (CID 63200994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).