(3R)-3-(4-methylphenyl)sulfinylbutan-1-ol

C11H16O2S — CID 14954396

IUPAC(3R)-3-(4-methylphenyl)sulfinylbutan-1-ol
SMILESCc1ccc(S(=O)[C@H](C)CCO)cc1
InChIInChI=1S/C11H16O2S/c1-9-3-5-11(6-4-9)14(13)10(2)7-8-12/h3-6,10,12H,7-8H2,1-2H3/t10-,14?/m1/s1
InChIKeyOJHBWNONWBJQBF-IAPIXIRKSA-N
MW212.31 g/mol
LogP1.87
Rot. Bonds4

About (3R)-3-(4-methylphenyl)sulfinylbutan-1-ol

(3R)-3-(4-methylphenyl)sulfinylbutan-1-ol (PubChem CID 14954396) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is (3R)-3-(4-methylphenyl)sulfinylbutan-1-ol.

Molecular Properties

Compound Name(3R)-3-(4-methylphenyl)sulfinylbutan-1-ol
PubChem CID14954396
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name(3R)-3-(4-methylphenyl)sulfinylbutan-1-ol
SMILESCc1ccc(S(=O)[C@H](C)CCO)cc1
InChIInChI=1S/C11H16O2S/c1-9-3-5-11(6-4-9)14(13)10(2)7-8-12/h3-6,10,12H,7-8H2,1-2H3/t10-,14?/m1/s1
InChIKeyOJHBWNONWBJQBF-IAPIXIRKSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
Methanol, 1-[(4-methylphenyl)sulfonyl]-
CID 75131
Ethanol, 2-[(4-methylphenyl)sulfonyl]-
CID 89682
Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
2-Methyl-2-propenyl p-tolyl sulphone
CID 140043
1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene
CID 5006204
p-Tolyl ethyl sulfoxide
CID 138738
3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol
CID 115623
4-[(4-Methylphenyl)sulfonyl]tetrahydro-3-thiopheneol 1,1-dioxide
CID 2829781
N-[bis(2-hydroxyethyl)-lambda~4~-sulfanylidene]-4-methylbenzenesulfonamide
CID 257521
Isopropyl p-tolyl sulfoxide
CID 564313

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methylphenyl)sulfinylbutan-1-ol?
The IUPAC name of (3R)-3-(4-methylphenyl)sulfinylbutan-1-ol (CID 14954396) is (3R)-3-(4-methylphenyl)sulfinylbutan-1-ol.
What is the SMILES notation for (3R)-3-(4-methylphenyl)sulfinylbutan-1-ol?
The canonical SMILES for (3R)-3-(4-methylphenyl)sulfinylbutan-1-ol is Cc1ccc(S(=O)[C@H](C)CCO)cc1.
What is the InChIKey of (3R)-3-(4-methylphenyl)sulfinylbutan-1-ol?
The InChIKey is OJHBWNONWBJQBF-IAPIXIRKSA-N. The full InChI is InChI=1S/C11H16O2S/c1-9-3-5-11(6-4-9)14(13)10(2)7-8-12/h3-6,10,12H,7-8H2,1-2H3/t10-,14?/m1/s1.
What are the key properties of (3R)-3-(4-methylphenyl)sulfinylbutan-1-ol?
(3R)-3-(4-methylphenyl)sulfinylbutan-1-ol has a molecular weight of 212.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methylphenyl)sulfinylbutan-1-ol is sourced from PubChem (CID 14954396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).