2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde

C16H15FO2 — CID 107697457

IUPAC2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
SMILESCc1ccc(COc2ccc(F)cc2C=O)cc1C
InChIInChI=1S/C16H15FO2/c1-11-3-4-13(7-12(11)2)10-19-16-6-5-15(17)8-14(16)9-18/h3-9H,10H2,1-2H3
InChIKeyMYZZJTTYGGPSSS-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.83
Rot. Bonds4

About 2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde

2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde (PubChem CID 107697457) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
PubChem CID107697457
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
SMILESCc1ccc(COc2ccc(F)cc2C=O)cc1C
InChIInChI=1S/C16H15FO2/c1-11-3-4-13(7-12(11)2)10-19-16-6-5-15(17)8-14(16)9-18/h3-9H,10H2,1-2H3
InChIKeyMYZZJTTYGGPSSS-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.83
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-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde
CID 50888934
2-[(3,5-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
CID 107697277
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697201
5-bromo-2-[(4-fluoro-2-methylphenyl)methoxy]benzaldehyde
CID 114346022
5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 91619201
2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697829
2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697199
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 8534779
2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde
CID 79705645
2-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403637
3-(4-fluoro-2-formylphenoxy)propanoic acid
CID 107697641
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde?
The IUPAC name of 2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde (CID 107697457) is 2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde is Cc1ccc(COc2ccc(F)cc2C=O)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde?
The InChIKey is MYZZJTTYGGPSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11-3-4-13(7-12(11)2)10-19-16-6-5-15(17)8-14(16)9-18/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde?
2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde has a molecular weight of 258.29 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde is sourced from PubChem (CID 107697457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).