[4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol

C13H20O2S — CID 66023872

IUPAC[4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol
SMILESCCc1ccc(CC2(CO)CCOCC2)s1
InChIInChI=1S/C13H20O2S/c1-2-11-3-4-12(16-11)9-13(10-14)5-7-15-8-6-13/h3-4,14H,2,5-10H2,1H3
InChIKeyQUIDRWTUAHMHJS-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.64
Rot. Bonds4

About [4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol

[4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol (PubChem CID 66023872) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is [4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol
PubChem CID66023872
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name[4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol
SMILESCCc1ccc(CC2(CO)CCOCC2)s1
InChIInChI=1S/C13H20O2S/c1-2-11-3-4-12(16-11)9-13(10-14)5-7-15-8-6-13/h3-4,14H,2,5-10H2,1H3
InChIKeyQUIDRWTUAHMHJS-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol
CID 66024976
2-[[1-(chloromethyl)cyclobutyl]methyl]-5-ethylthiophene
CID 66034874
2-[[1-(bromomethyl)cyclohexyl]methyl]-5-ethylthiophene
CID 66049979
[4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol
CID 66025414
[1-[(5-chlorothiophen-2-yl)methyl]cyclopropyl]methanol
CID 66025210
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55194898
2,5-diethylthiophene
CID 521294
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 55106645
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196618
1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699590
ethane;(4-ethyloxan-4-yl)methanol
CID 143573647

Frequently Asked Questions

What is the IUPAC name of [4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol (CID 66023872) is [4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol is CCc1ccc(CC2(CO)CCOCC2)s1.
What is the InChIKey of [4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol?
The InChIKey is QUIDRWTUAHMHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-2-11-3-4-12(16-11)9-13(10-14)5-7-15-8-6-13/h3-4,14H,2,5-10H2,1H3.
What are the key properties of [4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol?
[4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol has a molecular weight of 240.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol is sourced from PubChem (CID 66023872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).