4,5-difluoro-2-phenylmethoxybenzaldehyde

C14H10F2O2 — CID 129164784

IUPAC4,5-difluoro-2-phenylmethoxybenzaldehyde
SMILESO=Cc1cc(F)c(F)cc1OCc1ccccc1
InChIInChI=1S/C14H10F2O2/c15-12-6-11(8-17)14(7-13(12)16)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyGMJWQZIVEYRKDK-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.36
Rot. Bonds4

About 4,5-difluoro-2-phenylmethoxybenzaldehyde

4,5-difluoro-2-phenylmethoxybenzaldehyde (PubChem CID 129164784) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 4,5-difluoro-2-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name4,5-difluoro-2-phenylmethoxybenzaldehyde
PubChem CID129164784
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name4,5-difluoro-2-phenylmethoxybenzaldehyde
SMILESO=Cc1cc(F)c(F)cc1OCc1ccccc1
InChIInChI=1S/C14H10F2O2/c15-12-6-11(8-17)14(7-13(12)16)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyGMJWQZIVEYRKDK-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.36
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

2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
CID 59839615
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde
CID 146034992
2,4-difluoro-3-phenylmethoxybenzaldehyde
CID 74891943
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
(4,5-difluoro-2-phenylmethoxyphenyl)methanol
CID 130119023
7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde
CID 22987158
2-bromo-3-hydroxy-4,5-bis(phenylmethoxy)benzaldehyde
CID 73058387
2-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403637
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-phenylmethoxybenzaldehyde?
The IUPAC name of 4,5-difluoro-2-phenylmethoxybenzaldehyde (CID 129164784) is 4,5-difluoro-2-phenylmethoxybenzaldehyde.
What is the SMILES notation for 4,5-difluoro-2-phenylmethoxybenzaldehyde?
The canonical SMILES for 4,5-difluoro-2-phenylmethoxybenzaldehyde is O=Cc1cc(F)c(F)cc1OCc1ccccc1.
What is the InChIKey of 4,5-difluoro-2-phenylmethoxybenzaldehyde?
The InChIKey is GMJWQZIVEYRKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c15-12-6-11(8-17)14(7-13(12)16)18-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 4,5-difluoro-2-phenylmethoxybenzaldehyde?
4,5-difluoro-2-phenylmethoxybenzaldehyde has a molecular weight of 248.23 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-phenylmethoxybenzaldehyde is sourced from PubChem (CID 129164784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).