3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde

C8H6F2O3 — CID 84770629

IUPAC3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
SMILESCOc1c(F)cc(C=O)c(O)c1F
InChIInChI=1S/C8H6F2O3/c1-13-8-5(9)2-4(3-11)7(12)6(8)10/h2-3,12H,1H3
InChIKeyUBHDUBAAQFQMBU-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.49
Rot. Bonds2

About 3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde

3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde (PubChem CID 84770629) has the molecular formula C8H6F2O3 and a molecular weight of 188.13 g/mol. Its IUPAC name is 3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
PubChem CID84770629
Molecular FormulaC8H6F2O3
Molecular Weight188.13 g/mol
Exact Mass188.03
IUPAC Name3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
SMILESCOc1c(F)cc(C=O)c(O)c1F
InChIInChI=1S/C8H6F2O3/c1-13-8-5(9)2-4(3-11)7(12)6(8)10/h2-3,12H,1H3
InChIKeyUBHDUBAAQFQMBU-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84803664
5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84778086
3,5-difluoro-2,4-dihydroxybenzaldehyde
CID 18942327
2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
CID 105451300
3-fluoro-5-formyl-4-methoxybenzoyl chloride
CID 163229934
3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde
CID 174349151
3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
CID 3506623
N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide
CID 84781458
3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
5-bromo-3,4-difluoro-2-hydroxybenzaldehyde
CID 53485944
2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde
CID 84685306
methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate
CID 121215585

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde?
The IUPAC name of 3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde (CID 84770629) is 3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde.
What is the SMILES notation for 3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde?
The canonical SMILES for 3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde is COc1c(F)cc(C=O)c(O)c1F.
What is the InChIKey of 3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde?
The InChIKey is UBHDUBAAQFQMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O3/c1-13-8-5(9)2-4(3-11)7(12)6(8)10/h2-3,12H,1H3.
What are the key properties of 3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde?
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde has a molecular weight of 188.13 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde is sourced from PubChem (CID 84770629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).