1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol

C14H23BrOS — CID 102829735

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol
SMILESCCCCC(CC)CC(O)c1cc(Br)c(C)s1
InChIInChI=1S/C14H23BrOS/c1-4-6-7-11(5-2)8-13(16)14-9-12(15)10(3)17-14/h9,11,13,16H,4-8H2,1-3H3
InChIKeyJMTCOUALTJALOL-UHFFFAOYSA-N
MW319.31 g/mol
LogP5.46
Rot. Bonds7

About 1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol

1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol (PubChem CID 102829735) has the molecular formula C14H23BrOS and a molecular weight of 319.31 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol
PubChem CID102829735
Molecular FormulaC14H23BrOS
Molecular Weight319.31 g/mol
Exact Mass318.07
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol
SMILESCCCCC(CC)CC(O)c1cc(Br)c(C)s1
InChIInChI=1S/C14H23BrOS/c1-4-6-7-11(5-2)8-13(16)14-9-12(15)10(3)17-14/h9,11,13,16H,4-8H2,1-3H3
InChIKeyJMTCOUALTJALOL-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.31
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol
CID 102829531
1-(4-bromo-3,5-dimethylphenyl)-3-ethylheptan-1-ol
CID 114329962
1-(3-bromo-2-methylphenyl)-3-ethylheptan-1-ol
CID 114981334
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol
CID 114981391
1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 102829631
1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol
CID 106886301
1-(4,5-dibromothiophen-2-yl)heptan-1-ol
CID 114753442
1-(4,5-dibromothiophen-2-yl)octan-1-ol
CID 80535373
1-(4,5-dimethylthiophen-2-yl)-3-ethyl-N-methylheptan-1-amine
CID 115806115
1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol
CID 102834626
3-ethyl-1-(2-methylphenyl)heptan-1-ol
CID 63411121
3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol
CID 104769579

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol (CID 102829735) is 1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol is CCCCC(CC)CC(O)c1cc(Br)c(C)s1.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol?
The InChIKey is JMTCOUALTJALOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrOS/c1-4-6-7-11(5-2)8-13(16)14-9-12(15)10(3)17-14/h9,11,13,16H,4-8H2,1-3H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol?
1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol has a molecular weight of 319.31 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol is sourced from PubChem (CID 102829735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).