2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde

C10H11FO3 — CID 105451300

IUPAC2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
SMILESCOc1c(C)cc(C=O)c(F)c1OC
InChIInChI=1S/C10H11FO3/c1-6-4-7(5-12)8(11)10(14-3)9(6)13-2/h4-5H,1-3H3
InChIKeyIKXVBLJJKDIFRM-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.96
Rot. Bonds3

About 2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde

2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde (PubChem CID 105451300) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
PubChem CID105451300
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
SMILESCOc1c(C)cc(C=O)c(F)c1OC
InChIInChI=1S/C10H11FO3/c1-6-4-7(5-12)8(11)10(14-3)9(6)13-2/h4-5H,1-3H3
InChIKeyIKXVBLJJKDIFRM-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-4,5-dimethylbenzaldehyde
CID 66545575
5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde
CID 84710945
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
3-(2-fluoro-3,4-dimethoxy-5-methylphenyl)butanal
CID 117353374
5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde
CID 84684172
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
3-fluoro-4-methoxy-5-methylbenzaldehyde
CID 83827035
4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 82374449
N-(4-formyl-2-methoxy-3,6-dimethylphenyl)acetamide
CID 84787865
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-one
CID 117325240
2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde
CID 54157105

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde?
The IUPAC name of 2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde (CID 105451300) is 2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde.
What is the SMILES notation for 2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde?
The canonical SMILES for 2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde is COc1c(C)cc(C=O)c(F)c1OC.
What is the InChIKey of 2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde?
The InChIKey is IKXVBLJJKDIFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6-4-7(5-12)8(11)10(14-3)9(6)13-2/h4-5H,1-3H3.
What are the key properties of 2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde?
2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde has a molecular weight of 198.19 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde is sourced from PubChem (CID 105451300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).