2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal

C16H15FO2 — CID 21320569

IUPAC2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal
SMILESCOc1cc(C(C)C=O)ccc1-c1ccccc1F
InChIInChI=1S/C16H15FO2/c1-11(10-18)12-7-8-14(16(9-12)19-2)13-5-3-4-6-15(13)17/h3-11H,1-2H3
InChIKeyNSZSXXLQCPOXFY-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.80
Rot. Bonds4

About 2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal

2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal (PubChem CID 21320569) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal
PubChem CID21320569
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal
SMILESCOc1cc(C(C)C=O)ccc1-c1ccccc1F
InChIInChI=1S/C16H15FO2/c1-11(10-18)12-7-8-14(16(9-12)19-2)13-5-3-4-6-15(13)17/h3-11H,1-2H3
InChIKeyNSZSXXLQCPOXFY-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal
CID 129387290
2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal
CID 21406740
2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal
CID 174601594
2-(4-ethoxy-3-methoxyphenyl)propanal
CID 134639564
2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal
CID 21406797
3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid
CID 82543265
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
2-(3-fluoro-4-sulfanylphenyl)propanal
CID 134639403
2-[4-(chloromethyl)-3-fluorophenyl]propanal
CID 134639738
2-(3-fluorophenyl)propanal
CID 20610109
3-[4-fluoro-3-(2-methoxyphenyl)phenyl]butanoic acid
CID 82543204
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal?
The IUPAC name of 2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal (CID 21320569) is 2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal.
What is the SMILES notation for 2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal?
The canonical SMILES for 2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal is COc1cc(C(C)C=O)ccc1-c1ccccc1F.
What is the InChIKey of 2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal?
The InChIKey is NSZSXXLQCPOXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11(10-18)12-7-8-14(16(9-12)19-2)13-5-3-4-6-15(13)17/h3-11H,1-2H3.
What are the key properties of 2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal?
2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal has a molecular weight of 258.29 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal is sourced from PubChem (CID 21320569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).