1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol

C10H15BrOS — CID 61081920

IUPAC1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1ccc(Br)s1
InChIInChI=1S/C10H15BrOS/c1-3-7(4-2)10(12)8-5-6-9(11)13-8/h5-7,10,12H,3-4H2,1-2H3
InChIKeyOXZMKAGJSAQQJX-UHFFFAOYSA-N
MW263.20 g/mol
LogP3.98
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol

1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol (PubChem CID 61081920) has the molecular formula C10H15BrOS and a molecular weight of 263.20 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol
PubChem CID61081920
Molecular FormulaC10H15BrOS
Molecular Weight263.20 g/mol
Exact Mass262.00
IUPAC Name1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1ccc(Br)s1
InChIInChI=1S/C10H15BrOS/c1-3-7(4-2)10(12)8-5-6-9(11)13-8/h5-7,10,12H,3-4H2,1-2H3
InChIKeyOXZMKAGJSAQQJX-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 61081527
2-[(5-bromothiophen-2-yl)-hydroxymethyl]butanoic acid
CID 62398841
N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine
CID 130715091
1-(5-bromothiophen-2-yl)propylhydrazine
CID 105222163
6-(5-bromothiophen-2-yl)heptane-3,4-diol
CID 83935051
2-bromo-5-(1-bromo-2-ethylhexyl)thiophene
CID 63443930
S-[3-(5-bromothiophen-2-yl)-2,3-dihydroxypropyl] ethanethioate
CID 170823290
1-(5-bromothiophen-2-yl)-4-ethylhexane-2,3-diol
CID 103459887
1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol
CID 82074242
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 104980461
(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171222535
1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol
CID 61087799

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol (CID 61081920) is 1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol is CCC(CC)C(O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol?
The InChIKey is OXZMKAGJSAQQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrOS/c1-3-7(4-2)10(12)8-5-6-9(11)13-8/h5-7,10,12H,3-4H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol?
1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol has a molecular weight of 263.20 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol is sourced from PubChem (CID 61081920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).