1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol

C8H9BrOS — CID 115814756

IUPAC1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol
SMILESC=CC(O)c1cc(C)c(Br)s1
InChIInChI=1S/C8H9BrOS/c1-3-6(10)7-4-5(2)8(9)11-7/h3-4,6,10H,1H2,2H3
InChIKeyINQULUDPOFICJN-UHFFFAOYSA-N
MW233.13 g/mol
LogP3.04
Rot. Bonds2

About 1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol

1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol (PubChem CID 115814756) has the molecular formula C8H9BrOS and a molecular weight of 233.13 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol
PubChem CID115814756
Molecular FormulaC8H9BrOS
Molecular Weight233.13 g/mol
Exact Mass231.96
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol
SMILESC=CC(O)c1cc(C)c(Br)s1
InChIInChI=1S/C8H9BrOS/c1-3-6(10)7-4-5(2)8(9)11-7/h3-4,6,10H,1H2,2H3
InChIKeyINQULUDPOFICJN-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-amine
CID 131039487
2-bromo-5-ethenyl-3-methylthiophene
CID 118245747
(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
CID 79996997
(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 79991362
(5-bromo-4-methylthiophen-2-yl)-(5-bromothiophen-3-yl)methanol
CID 107964321
3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid
CID 130645620
1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)prop-2-enyl]piperazine;dihydrochloride
CID 171276296
(5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol
CID 79991365
2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene
CID 79991257
2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene
CID 80534570
(5-bromo-4-methylthiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 79991143
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol
CID 115839544

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol (CID 115814756) is 1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol is C=CC(O)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol?
The InChIKey is INQULUDPOFICJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrOS/c1-3-6(10)7-4-5(2)8(9)11-7/h3-4,6,10H,1H2,2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol?
1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol has a molecular weight of 233.13 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 115814756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).