4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol

C18H24OS — CID 63773505

IUPAC4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol
SMILESCCC(CC)(c1ccccc1)C(O)CCc1cccs1
InChIInChI=1S/C18H24OS/c1-3-18(4-2,15-9-6-5-7-10-15)17(19)13-12-16-11-8-14-20-16/h5-11,14,17,19H,3-4,12-13H2,1-2H3
InChIKeyWJJNIZLHGFNKEM-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.80
Rot. Bonds7

About 4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol

4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol (PubChem CID 63773505) has the molecular formula C18H24OS and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol.

Molecular Properties

Compound Name4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol
PubChem CID63773505
Molecular FormulaC18H24OS
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Name4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol
SMILESCCC(CC)(c1ccccc1)C(O)CCc1cccs1
InChIInChI=1S/C18H24OS/c1-3-18(4-2,15-9-6-5-7-10-15)17(19)13-12-16-11-8-14-20-16/h5-11,14,17,19H,3-4,12-13H2,1-2H3
InChIKeyWJJNIZLHGFNKEM-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol
CID 116752710
4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 116752420
3-ethyl-7-methyl-3-phenyloctan-4-ol
CID 63414576
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
4-phenyl-1-thiophen-2-ylpentan-3-ol
CID 65149511
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143
2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine
CID 63082381
3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol
CID 63083411
(4-methyl-4-phenyl-1-thiophen-2-ylpentan-3-yl)hydrazine
CID 105216322
5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol
CID 115800483
5-methyl-1-thiophen-2-ylheptan-3-ol
CID 115800369
4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine
CID 79068897

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol?
The IUPAC name of 4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol (CID 63773505) is 4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol.
What is the SMILES notation for 4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol?
The canonical SMILES for 4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol is CCC(CC)(c1ccccc1)C(O)CCc1cccs1.
What is the InChIKey of 4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol?
The InChIKey is WJJNIZLHGFNKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24OS/c1-3-18(4-2,15-9-6-5-7-10-15)17(19)13-12-16-11-8-14-20-16/h5-11,14,17,19H,3-4,12-13H2,1-2H3.
What are the key properties of 4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol?
4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol has a molecular weight of 288.46 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol is sourced from PubChem (CID 63773505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).