2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol

C17H20O2S — CID 104769223

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(C(O)CC2CCOc3ccccc32)s1
InChIInChI=1S/C17H20O2S/c1-2-13-7-8-17(20-13)15(18)11-12-9-10-19-16-6-4-3-5-14(12)16/h3-8,12,15,18H,2,9-11H2,1H3
InChIKeyIRKCVMSSEWXUCM-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.30
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol

2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol (PubChem CID 104769223) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol
PubChem CID104769223
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(C(O)CC2CCOc3ccccc32)s1
InChIInChI=1S/C17H20O2S/c1-2-13-7-8-17(20-13)15(18)11-12-9-10-19-16-6-4-3-5-14(12)16/h3-8,12,15,18H,2,9-11H2,1H3
InChIKeyIRKCVMSSEWXUCM-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831962
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 104769214
1-(4-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 104769293
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol
CID 104769164
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
CID 104769238
1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 106695578
1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 65407954
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105034371
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxypropan-2-ol
CID 104770040
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831946

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol (CID 104769223) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol is CCc1ccc(C(O)CC2CCOc3ccccc32)s1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol?
The InChIKey is IRKCVMSSEWXUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-2-13-7-8-17(20-13)15(18)11-12-9-10-19-16-6-4-3-5-14(12)16/h3-8,12,15,18H,2,9-11H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol has a molecular weight of 288.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 104769223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).