5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde

C17H11FO3S — CID 123472518

IUPAC5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(O)cc2-c2ccc(F)c(O)c2)s1
InChIInChI=1S/C17H11FO3S/c18-15-5-1-10(7-16(15)21)14-8-11(20)2-4-13(14)17-6-3-12(9-19)22-17/h1-9,20-21H
InChIKeyCPXDNSAGUVXWQP-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.44
Rot. Bonds3

About 5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde

5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde (PubChem CID 123472518) has the molecular formula C17H11FO3S and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde
PubChem CID123472518
Molecular FormulaC17H11FO3S
Molecular Weight314.34 g/mol
Exact Mass314.04
IUPAC Name5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(O)cc2-c2ccc(F)c(O)c2)s1
InChIInChI=1S/C17H11FO3S/c18-15-5-1-10(7-16(15)21)14-8-11(20)2-4-13(14)17-6-3-12(9-19)22-17/h1-9,20-21H
InChIKeyCPXDNSAGUVXWQP-UHFFFAOYSA-N
XLogP4.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde
CID 53219351
5-(3,4-difluorophenyl)thiophene-2-carbaldehyde
CID 43153943
5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
CID 170901047
5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde
CID 53221262
5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde
CID 62812029
3-(5-formylthiophen-2-yl)-5-hydroxybenzonitrile
CID 53219924
3-fluoro-4-[5-(2-fluoro-4-hydroxyphenyl)thiophen-2-yl]phenol
CID 71624341
5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde
CID 43153934
5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde
CID 103586904
5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde
CID 82480842
4-(2-fluoro-4-hydroxyphenyl)benzaldehyde
CID 52983987
5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile
CID 53219922

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde (CID 123472518) is 5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(O)cc2-c2ccc(F)c(O)c2)s1.
What is the InChIKey of 5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde?
The InChIKey is CPXDNSAGUVXWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO3S/c18-15-5-1-10(7-16(15)21)14-8-11(20)2-4-13(14)17-6-3-12(9-19)22-17/h1-9,20-21H.
What are the key properties of 5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde?
5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde has a molecular weight of 314.34 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-hydroxyphenyl)-4-hydroxyphenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 123472518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).