[4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone

C16H10F2O3S — CID 135872957

IUPAC[4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone
SMILESO=C(c1ccc(OC(F)F)cc1)c1sc2ccccc2c1O
InChIInChI=1S/C16H10F2O3S/c17-16(18)21-10-7-5-9(6-8-10)13(19)15-14(20)11-3-1-2-4-12(11)22-15/h1-8,16,20H
InChIKeyCYCXEYVRSZRMIG-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.44
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone

[4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone (PubChem CID 135872957) has the molecular formula C16H10F2O3S and a molecular weight of 320.32 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone
PubChem CID135872957
Molecular FormulaC16H10F2O3S
Molecular Weight320.32 g/mol
Exact Mass320.03
IUPAC Name[4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone
SMILESO=C(c1ccc(OC(F)F)cc1)c1sc2ccccc2c1O
InChIInChI=1S/C16H10F2O3S/c17-16(18)21-10-7-5-9(6-8-10)13(19)15-14(20)11-3-1-2-4-12(11)22-15/h1-8,16,20H
InChIKeyCYCXEYVRSZRMIG-UHFFFAOYSA-N
XLogP4.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

Analyze [4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone?
The IUPAC name of [4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone (CID 135872957) is [4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone is O=C(c1ccc(OC(F)F)cc1)c1sc2ccccc2c1O.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone?
The InChIKey is CYCXEYVRSZRMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2O3S/c17-16(18)21-10-7-5-9(6-8-10)13(19)15-14(20)11-3-1-2-4-12(11)22-15/h1-8,16,20H.
What are the key properties of [4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone?
[4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone has a molecular weight of 320.32 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-(3-hydroxy-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 135872957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).