1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol

C12H18O2S — CID 60670968

IUPAC1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CSc1ccccc1
InChIInChI=1S/C12H18O2S/c1-10(2)14-8-11(13)9-15-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyACMGDXBHUYIAKY-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.56
Rot. Bonds6

About 1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol

1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol (PubChem CID 60670968) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
PubChem CID60670968
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CSc1ccccc1
InChIInChI=1S/C12H18O2S/c1-10(2)14-8-11(13)9-15-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyACMGDXBHUYIAKY-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 79566382
3-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]sulfanylbenzonitrile
CID 97244805
1-butoxy-3-phenylsulfanylpropan-2-ol
CID 12063877
1-[4-[4-(2-hydroxy-3-phenylsulfanylpropoxy)phenoxy]phenoxy]-3-phenylsulfanylpropan-2-ol
CID 23389679
3-methyl-1-phenylsulfanylpentan-2-ol
CID 79444974
1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670816
1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
CID 110879353
5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylfuran-2-carboxylic acid
CID 63987361
1-cyclopropyl-3-phenylsulfanylpropan-2-ol
CID 65142399
3-hydroxy-4-phenylsulfanylbutanoate
CID 22646094

Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol (CID 60670968) is 1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CSc1ccccc1.
What is the InChIKey of 1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol?
The InChIKey is ACMGDXBHUYIAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-10(2)14-8-11(13)9-15-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3.
What are the key properties of 1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol?
1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol has a molecular weight of 226.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60670968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).