4-fluoro-2-methoxy-5-methylbenzaldehyde

C9H9FO2 — CID 54566251

IUPAC4-fluoro-2-methoxy-5-methylbenzaldehyde
SMILESCOc1cc(F)c(C)cc1C=O
InChIInChI=1S/C9H9FO2/c1-6-3-7(5-11)9(12-2)4-8(6)10/h3-5H,1-2H3
InChIKeyZUALERHBOURZFF-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.96
Rot. Bonds2

About 4-fluoro-2-methoxy-5-methylbenzaldehyde

4-fluoro-2-methoxy-5-methylbenzaldehyde (PubChem CID 54566251) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-5-methylbenzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-methoxy-5-methylbenzaldehyde
PubChem CID54566251
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name4-fluoro-2-methoxy-5-methylbenzaldehyde
SMILESCOc1cc(F)c(C)cc1C=O
InChIInChI=1S/C9H9FO2/c1-6-3-7(5-11)9(12-2)4-8(6)10/h3-5H,1-2H3
InChIKeyZUALERHBOURZFF-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.96
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

5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
5-acetyl-4-fluoro-2-methoxybenzaldehyde
CID 171009098
5-iodo-2-methoxy-4-methylbenzaldehyde
CID 130739044
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid
CID 171009531
2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde
CID 115502475
4-fluoro-2-methoxybenzaldehyde
CID 2774537
2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
CID 105451300
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid
CID 162265472
4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde
CID 117286732

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-5-methylbenzaldehyde?
The IUPAC name of 4-fluoro-2-methoxy-5-methylbenzaldehyde (CID 54566251) is 4-fluoro-2-methoxy-5-methylbenzaldehyde.
What is the SMILES notation for 4-fluoro-2-methoxy-5-methylbenzaldehyde?
The canonical SMILES for 4-fluoro-2-methoxy-5-methylbenzaldehyde is COc1cc(F)c(C)cc1C=O.
What is the InChIKey of 4-fluoro-2-methoxy-5-methylbenzaldehyde?
The InChIKey is ZUALERHBOURZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-6-3-7(5-11)9(12-2)4-8(6)10/h3-5H,1-2H3.
What are the key properties of 4-fluoro-2-methoxy-5-methylbenzaldehyde?
4-fluoro-2-methoxy-5-methylbenzaldehyde has a molecular weight of 168.17 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-5-methylbenzaldehyde is sourced from PubChem (CID 54566251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).