1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol

C14H22O2S — CID 60670816

IUPAC1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(C)c(SCC(O)COC(C)C)c1
InChIInChI=1S/C14H22O2S/c1-10(2)16-8-13(15)9-17-14-7-11(3)5-6-12(14)4/h5-7,10,13,15H,8-9H2,1-4H3
InChIKeyQLDKGBVQANKDNT-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.18
Rot. Bonds6

About 1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol

1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol (PubChem CID 60670816) has the molecular formula C14H22O2S and a molecular weight of 254.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
PubChem CID60670816
Molecular FormulaC14H22O2S
Molecular Weight254.39 g/mol
Exact Mass254.13
IUPAC Name1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(C)c(SCC(O)COC(C)C)c1
InChIInChI=1S/C14H22O2S/c1-10(2)16-8-13(15)9-17-14-7-11(3)5-6-12(14)4/h5-7,10,13,15H,8-9H2,1-4H3
InChIKeyQLDKGBVQANKDNT-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol
CID 60899958
1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670968
1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 79566382
1-(cyclopropylamino)-3-(2,5-dimethylphenyl)sulfanylpropan-2-ol
CID 43166408
1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol
CID 64665099
1-(3-bromophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 63987420
1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
CID 78912068
5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid
CID 63987361
2-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyl-4,6-dimethylpyridine-3-carboxylic acid
CID 63987360
3-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]sulfanylbenzonitrile
CID 97244805
(1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 55238900
1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol
CID 105131331

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol (CID 60670816) is 1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol is Cc1ccc(C)c(SCC(O)COC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol?
The InChIKey is QLDKGBVQANKDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S/c1-10(2)16-8-13(15)9-17-14-7-11(3)5-6-12(14)4/h5-7,10,13,15H,8-9H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol?
1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol has a molecular weight of 254.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60670816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).