1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol

C14H22O2S — CID 63933591

IUPAC1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol
SMILESCCOCC(O)CSc1ccc(C(C)C)cc1
InChIInChI=1S/C14H22O2S/c1-4-16-9-13(15)10-17-14-7-5-12(6-8-14)11(2)3/h5-8,11,13,15H,4,9-10H2,1-3H3
InChIKeyBLAGXBJWVDFDCG-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.30
Rot. Bonds7

About 1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol

1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol (PubChem CID 63933591) has the molecular formula C14H22O2S and a molecular weight of 254.39 g/mol. Its IUPAC name is 1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol
PubChem CID63933591
Molecular FormulaC14H22O2S
Molecular Weight254.39 g/mol
Exact Mass254.13
IUPAC Name1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol
SMILESCCOCC(O)CSc1ccc(C(C)C)cc1
InChIInChI=1S/C14H22O2S/c1-4-16-9-13(15)10-17-14-7-5-12(6-8-14)11(2)3/h5-8,11,13,15H,4,9-10H2,1-3H3
InChIKeyBLAGXBJWVDFDCG-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-ethoxy-3-propan-2-ylsulfanylpropan-2-ol
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1-butoxy-3-phenylsulfanylpropan-2-ol
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1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol
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1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992365
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670968
1-[4-(2-hydroxypropylsulfanyl)phenyl]sulfanylpropan-2-ol
CID 90842092
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol
CID 60981441
(2S)-1-[(4-chlorophenyl)methylsulfanyl]-3-ethoxypropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol (CID 63933591) is 1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol is CCOCC(O)CSc1ccc(C(C)C)cc1.
What is the InChIKey of 1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol?
The InChIKey is BLAGXBJWVDFDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S/c1-4-16-9-13(15)10-17-14-7-5-12(6-8-14)11(2)3/h5-8,11,13,15H,4,9-10H2,1-3H3.
What are the key properties of 1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol?
1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol has a molecular weight of 254.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 63933591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).