6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol

C16H19BrO2S — CID 142710251

IUPAC6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol
SMILESOCCCCCCOc1ccc(-c2ccc(Br)s2)cc1
InChIInChI=1S/C16H19BrO2S/c17-16-10-9-15(20-16)13-5-7-14(8-6-13)19-12-4-2-1-3-11-18/h5-10,18H,1-4,11-12H2
InChIKeyLSELXTAWOIWNEQ-UHFFFAOYSA-N
MW355.30 g/mol
LogP5.11
Rot. Bonds8

About 6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol

6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol (PubChem CID 142710251) has the molecular formula C16H19BrO2S and a molecular weight of 355.30 g/mol. Its IUPAC name is 6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol
PubChem CID142710251
Molecular FormulaC16H19BrO2S
Molecular Weight355.30 g/mol
Exact Mass354.03
IUPAC Name6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol
SMILESOCCCCCCOc1ccc(-c2ccc(Br)s2)cc1
InChIInChI=1S/C16H19BrO2S/c17-16-10-9-15(20-16)13-5-7-14(8-6-13)19-12-4-2-1-3-11-18/h5-10,18H,1-4,11-12H2
InChIKeyLSELXTAWOIWNEQ-UHFFFAOYSA-N
XLogP5.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.30
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
2-(4-octoxyphenyl)-5-[5-(4-octoxyphenyl)thiophen-2-yl]thiophene
CID 59027319
6-(4-pyridin-4-ylphenoxy)hexan-1-ol
CID 67931707
8-[4-(aminomethyl)phenoxy]octan-1-ol
CID 71278332
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
6-(4-iodophenoxy)hexan-1-ol
CID 58609394
7-phenoxyheptan-1-ol
CID 15856264
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506
2-butoxy-5-[4-(4-dodecoxyphenyl)phenyl]thiophene
CID 10863935

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol?
The IUPAC name of 6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol (CID 142710251) is 6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol is OCCCCCCOc1ccc(-c2ccc(Br)s2)cc1.
What is the InChIKey of 6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol?
The InChIKey is LSELXTAWOIWNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrO2S/c17-16-10-9-15(20-16)13-5-7-14(8-6-13)19-12-4-2-1-3-11-18/h5-10,18H,1-4,11-12H2.
What are the key properties of 6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol?
6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol has a molecular weight of 355.30 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-bromothiophen-2-yl)phenoxy]hexan-1-ol is sourced from PubChem (CID 142710251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).