3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde

C16H13FO3 — CID 175076410

IUPAC3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde
SMILESCOc1ccc(C=Cc2cc(F)c(O)c(C=O)c2)cc1
InChIInChI=1S/C16H13FO3/c1-20-14-6-4-11(5-7-14)2-3-12-8-13(10-18)16(19)15(17)9-12/h2-10,19H,1H3
InChIKeyVBOKTULCADITNA-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.52
Rot. Bonds4

About 3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde

3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde (PubChem CID 175076410) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde
PubChem CID175076410
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde
SMILESCOc1ccc(C=Cc2cc(F)c(O)c(C=O)c2)cc1
InChIInChI=1S/C16H13FO3/c1-20-14-6-4-11(5-7-14)2-3-12-8-13(10-18)16(19)15(17)9-12/h2-10,19H,1H3
InChIKeyVBOKTULCADITNA-UHFFFAOYSA-N
XLogP3.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol
CID 165087333
2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde
CID 15189859
5-[(E)-2-(4-chlorophenyl)ethenyl]-2-hydroxy-3-methoxybenzaldehyde
CID 139536308
5-[2-(4-chlorophenyl)ethenyl]-2-hydroxy-3-methoxybenzaldehyde
CID 155677733
methyl 3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enoate
CID 169479167
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
2-hydroxy-3-methoxy-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 139552593
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
[3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]boronic acid
CID 155715469
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde?
The IUPAC name of 3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde (CID 175076410) is 3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde?
The canonical SMILES for 3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde is COc1ccc(C=Cc2cc(F)c(O)c(C=O)c2)cc1.
What is the InChIKey of 3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde?
The InChIKey is VBOKTULCADITNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-20-14-6-4-11(5-7-14)2-3-12-8-13(10-18)16(19)15(17)9-12/h2-10,19H,1H3.
What are the key properties of 3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde?
3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde has a molecular weight of 272.28 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde is sourced from PubChem (CID 175076410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).