(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol

C14H14O2S — CID 22270298

IUPAC(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol
SMILESCOc1ccc(/C(=C/CO)c2cccs2)cc1
InChIInChI=1S/C14H14O2S/c1-16-12-6-4-11(5-7-12)13(8-9-15)14-3-2-10-17-14/h2-8,10,15H,9H2,1H3/b13-8-
InChIKeyGBZOWTDKILDZHU-JYRVWZFOSA-N
MW246.33 g/mol
LogP3.18
Rot. Bonds4

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

(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol (PubChem CID 22270298) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol
PubChem CID22270298
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol
SMILESCOc1ccc(/C(=C/CO)c2cccs2)cc1
InChIInChI=1S/C14H14O2S/c1-16-12-6-4-11(5-7-12)13(8-9-15)14-3-2-10-17-14/h2-8,10,15H,9H2,1H3/b13-8-
InChIKeyGBZOWTDKILDZHU-JYRVWZFOSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol?
The IUPAC name of (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol (CID 22270298) is (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol is COc1ccc(/C(=C/CO)c2cccs2)cc1.
What is the InChIKey of (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol?
The InChIKey is GBZOWTDKILDZHU-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H14O2S/c1-16-12-6-4-11(5-7-12)13(8-9-15)14-3-2-10-17-14/h2-8,10,15H,9H2,1H3/b13-8-.
What are the key properties of (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol?
(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol has a molecular weight of 246.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol is sourced from PubChem (CID 22270298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).