3-(4-fluorophenyl)-4-methoxybenzaldehyde

C14H11FO2 — CID 22391234

IUPAC3-(4-fluorophenyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1-c1ccc(F)cc1
InChIInChI=1S/C14H11FO2/c1-17-14-7-2-10(9-16)8-13(14)11-3-5-12(15)6-4-11/h2-9H,1H3
InChIKeyWHSKVOQOPDRJEW-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.31
Rot. Bonds3

About 3-(4-fluorophenyl)-4-methoxybenzaldehyde

3-(4-fluorophenyl)-4-methoxybenzaldehyde (PubChem CID 22391234) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methoxybenzaldehyde
PubChem CID22391234
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name3-(4-fluorophenyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1-c1ccc(F)cc1
InChIInChI=1S/C14H11FO2/c1-17-14-7-2-10(9-16)8-13(14)11-3-5-12(15)6-4-11/h2-9H,1H3
InChIKeyWHSKVOQOPDRJEW-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

4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
2-(4-fluorophenyl)-1-methoxy-4-prop-1-enylbenzene
CID 141071420
3-(4-acetylphenyl)-4-methoxybenzaldehyde
CID 12987456
3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde
CID 166638981
3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxybenzaldehyde
CID 118071467
4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde
CID 83663000
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
3-(1H-indol-5-yl)-4-methoxybenzaldehyde
CID 22391514
4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde
CID 144969645
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865
1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
CID 118497324
CID 167405011
CID 167405011

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methoxybenzaldehyde?
The IUPAC name of 3-(4-fluorophenyl)-4-methoxybenzaldehyde (CID 22391234) is 3-(4-fluorophenyl)-4-methoxybenzaldehyde.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methoxybenzaldehyde?
The canonical SMILES for 3-(4-fluorophenyl)-4-methoxybenzaldehyde is COc1ccc(C=O)cc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methoxybenzaldehyde?
The InChIKey is WHSKVOQOPDRJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c1-17-14-7-2-10(9-16)8-13(14)11-3-5-12(15)6-4-11/h2-9H,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-methoxybenzaldehyde?
3-(4-fluorophenyl)-4-methoxybenzaldehyde 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-(4-fluorophenyl)-4-methoxybenzaldehyde is sourced from PubChem (CID 22391234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).