1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol

C15H16O2S — CID 11368975

IUPAC1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol
SMILESC=C(CC(O)c1ccc(OC)cc1)c1cccs1
InChIInChI=1S/C15H16O2S/c1-11(15-4-3-9-18-15)10-14(16)12-5-7-13(17-2)8-6-12/h3-9,14,16H,1,10H2,2H3
InChIKeyBPBDGWHIPKUTNH-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.89
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol

1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol (PubChem CID 11368975) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol
PubChem CID11368975
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol
SMILESC=C(CC(O)c1ccc(OC)cc1)c1cccs1
InChIInChI=1S/C15H16O2S/c1-11(15-4-3-9-18-15)10-14(16)12-5-7-13(17-2)8-6-12/h3-9,14,16H,1,10H2,2H3
InChIKeyBPBDGWHIPKUTNH-UHFFFAOYSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
[1-(4-methoxyphenyl)-3-oxo-3-thiophen-2-ylpropyl]-methylcarbamic acid
CID 91392948
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
CID 11572126
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide
CID 93486739
4-hydroxy-4-(4-methoxyphenyl)-2-oxobutanoic acid
CID 102408394
1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol
CID 114473769
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine
CID 101472894
[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 46924888
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol (CID 11368975) is 1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol is C=C(CC(O)c1ccc(OC)cc1)c1cccs1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol?
The InChIKey is BPBDGWHIPKUTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-11(15-4-3-9-18-15)10-14(16)12-5-7-13(17-2)8-6-12/h3-9,14,16H,1,10H2,2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol?
1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol has a molecular weight of 260.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol is sourced from PubChem (CID 11368975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).