3-(4-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one

C13H10O2S — CID 5761068

IUPAC(E)-3-(4-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
SMILESC1=CSC(=C1)C(=O)/C=C/C2=CC=C(C=C2)O
InChIInChI=1S/C13H10O2S/c14-11-6-3-10(4-7-11)5-8-12(15)13-2-1-9-16-13/h1-9,14H/b8-5+
InChIKeyMCMNCKMDUDICKW-VMPITWQZSA-N
MW230.28 g/mol
LogP3.30
Rot. Bonds3

About 3-(4-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one

3-(4-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one (PubChem CID 5761068) has the molecular formula C13H10O2S and a molecular weight of 230.28 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(4-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one
PubChem CID5761068
Molecular FormulaC13H10O2S
Molecular Weight230.28 g/mol
Exact Mass230.04
IUPAC Name(E)-3-(4-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
SMILESC1=CSC(=C1)C(=O)/C=C/C2=CC=C(C=C2)O
InChIInChI=1S/C13H10O2S/c14-11-6-3-10(4-7-11)5-8-12(15)13-2-1-9-16-13/h1-9,14H/b8-5+
InChIKeyMCMNCKMDUDICKW-VMPITWQZSA-N
XLogP3.30
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity267

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Prifelone
CID 71751
[5-(4-Hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652962
2-Hydroxy-5-(2-thienyl)benzaldehyde
CID 828499
4-(4-Hydroxybenzoyl)-2-thiophenesulfonamide
CID 14639075
(4-Hydroxy-3,5-dimethyl-phenyl)-thiophen-2-yl-methanone
CID 14771930
(3-Hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840059
(4-Hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840060
(3-Hydroxyphenyl)(5-(4-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840062
(3-Hydroxyphenyl)(5-(2-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840063
(4-Fluoro-3-hydroxyphenyl)(5-(4-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840065
[5-(3-Fluoro-4-hydroxyphenyl)-2-thienyl](3-hydroxyphenyl)-methanone
CID 49840135
5W-0275
CID 5355846

Frequently Asked Questions

What is the IUPAC name of 3-(4-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one?
The IUPAC name of 3-(4-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one (CID 5761068) is (E)-3-(4-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-(4-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one?
The canonical SMILES for 3-(4-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one is C1=CSC(=C1)C(=O)/C=C/C2=CC=C(C=C2)O.
What is the InChIKey of 3-(4-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one?
The InChIKey is MCMNCKMDUDICKW-VMPITWQZSA-N. The full InChI is InChI=1S/C13H10O2S/c14-11-6-3-10(4-7-11)5-8-12(15)13-2-1-9-16-13/h1-9,14H/b8-5+.
What are the key properties of 3-(4-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one?
3-(4-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one has a molecular weight of 230.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one is sourced from PubChem (CID 5761068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).