3-fluoro-2-(4-methoxyphenyl)benzaldehyde

C14H11FO2 — CID 135055449

IUPAC3-fluoro-2-(4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2c(F)cccc2C=O)cc1
InChIInChI=1S/C14H11FO2/c1-17-12-7-5-10(6-8-12)14-11(9-16)3-2-4-13(14)15/h2-9H,1H3
InChIKeyNNQLSZWIFYSZDZ-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.31
Rot. Bonds3

About 3-fluoro-2-(4-methoxyphenyl)benzaldehyde

3-fluoro-2-(4-methoxyphenyl)benzaldehyde (PubChem CID 135055449) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 3-fluoro-2-(4-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-(4-methoxyphenyl)benzaldehyde
PubChem CID135055449
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name3-fluoro-2-(4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2c(F)cccc2C=O)cc1
InChIInChI=1S/C14H11FO2/c1-17-12-7-5-10(6-8-12)14-11(9-16)3-2-4-13(14)15/h2-9H,1H3
InChIKeyNNQLSZWIFYSZDZ-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.31
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

2-(4-methoxyphenyl)-3-nitrobenzaldehyde
CID 174417742
3-(4-methoxyphenyl)phthalaldehyde
CID 174870899
2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde
CID 175847357
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde
CID 11770188
2-[3-fluoro-2-(4-methoxyphenyl)phenyl]pyridine
CID 102052636
2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde
CID 114077817
3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde
CID 170457664
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
CID 54910260
3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 3620161

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methoxyphenyl)benzaldehyde?
The IUPAC name of 3-fluoro-2-(4-methoxyphenyl)benzaldehyde (CID 135055449) is 3-fluoro-2-(4-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 3-fluoro-2-(4-methoxyphenyl)benzaldehyde?
The canonical SMILES for 3-fluoro-2-(4-methoxyphenyl)benzaldehyde is COc1ccc(-c2c(F)cccc2C=O)cc1.
What is the InChIKey of 3-fluoro-2-(4-methoxyphenyl)benzaldehyde?
The InChIKey is NNQLSZWIFYSZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c1-17-12-7-5-10(6-8-12)14-11(9-16)3-2-4-13(14)15/h2-9H,1H3.
What are the key properties of 3-fluoro-2-(4-methoxyphenyl)benzaldehyde?
3-fluoro-2-(4-methoxyphenyl)benzaldehyde has a molecular weight of 230.24 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 135055449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).