1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol

C14H20O2S — CID 114744556

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol
SMILESCCCSCC(O)c1cccc2c1OCCC2
InChIInChI=1S/C14H20O2S/c1-2-9-17-10-13(15)12-7-3-5-11-6-4-8-16-14(11)12/h3,5,7,13,15H,2,4,6,8-10H2,1H3
InChIKeyIABYUQQIAOCPLS-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.19
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol

1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol (PubChem CID 114744556) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol
PubChem CID114744556
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol
SMILESCCCSCC(O)c1cccc2c1OCCC2
InChIInChI=1S/C14H20O2S/c1-2-9-17-10-13(15)12-7-3-5-11-6-4-8-16-14(11)12/h3,5,7,13,15H,2,4,6,8-10H2,1H3
InChIKeyIABYUQQIAOCPLS-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol
CID 114744615
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
CID 114744719
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol
CID 114743317
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
[1-(3,4-dihydro-2H-chromen-8-yl)-2-methylsulfanylethyl]hydrazine
CID 105214067
1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol
CID 103089875
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
CID 114200584
1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol
CID 115837825
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol
CID 114744473

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol (CID 114744556) is 1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol is CCCSCC(O)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol?
The InChIKey is IABYUQQIAOCPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-2-9-17-10-13(15)12-7-3-5-11-6-4-8-16-14(11)12/h3,5,7,13,15H,2,4,6,8-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol?
1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol has a molecular weight of 252.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol is sourced from PubChem (CID 114744556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).