4-fluoro-2-methoxybenzaldehyde

C8H7FO2 — CID 2774537

IUPAC4-fluoro-2-methoxybenzaldehyde
SMILESCOc1cc(F)ccc1C=O
InChIInChI=1S/C8H7FO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
InChIKeyPTKRQIRPNNIORO-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.65
Rot. Bonds2

About 4-fluoro-2-methoxybenzaldehyde

4-fluoro-2-methoxybenzaldehyde (PubChem CID 2774537) has the molecular formula C8H7FO2 and a molecular weight of 154.14 g/mol. Its IUPAC name is 4-fluoro-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-methoxybenzaldehyde
PubChem CID2774537
Molecular FormulaC8H7FO2
Molecular Weight154.14 g/mol
Exact Mass154.04
IUPAC Name4-fluoro-2-methoxybenzaldehyde
SMILESCOc1cc(F)ccc1C=O
InChIInChI=1S/C8H7FO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
InChIKeyPTKRQIRPNNIORO-UHFFFAOYSA-N
XLogP1.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.65
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-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
4-(4-fluorophenoxy)-2-methoxybenzaldehyde
CID 174997678
4-fluoro-2-propoxybenzaldehyde
CID 74889364
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133
4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
CID 114060111
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde
CID 90314663
(Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid
CID 155664666
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
(5-fluoro-2-formylphenyl) propan-2-yl carbonate
CID 87274217
3-(4-fluoro-2-methoxyphenyl)prop-2-en-1-ol
CID 67414979
4-fluoro-2-methylbenzaldehyde
CID 2783217

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxybenzaldehyde?
The IUPAC name of 4-fluoro-2-methoxybenzaldehyde (CID 2774537) is 4-fluoro-2-methoxybenzaldehyde.
What is the SMILES notation for 4-fluoro-2-methoxybenzaldehyde?
The canonical SMILES for 4-fluoro-2-methoxybenzaldehyde is COc1cc(F)ccc1C=O.
What is the InChIKey of 4-fluoro-2-methoxybenzaldehyde?
The InChIKey is PTKRQIRPNNIORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3.
What are the key properties of 4-fluoro-2-methoxybenzaldehyde?
4-fluoro-2-methoxybenzaldehyde has a molecular weight of 154.14 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxybenzaldehyde is sourced from PubChem (CID 2774537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).