2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde

C16H15FO3 — CID 115502475

IUPAC2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C16H15FO3/c1-10-4-5-11(6-14(10)17)13-8-16(20-3)15(19-2)7-12(13)9-18/h4-9H,1-3H3
InChIKeyCEGULOBFAWDDNF-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.63
Rot. Bonds4

About 2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde

2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde (PubChem CID 115502475) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde
PubChem CID115502475
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C16H15FO3/c1-10-4-5-11(6-14(10)17)13-8-16(20-3)15(19-2)7-12(13)9-18/h4-9H,1-3H3
InChIKeyCEGULOBFAWDDNF-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.63
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

4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde
CID 164891680
5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde
CID 115502480
4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde
CID 54912502
4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
CID 114060111
1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene
CID 118188502
2-(2-fluoro-4-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 61034520
2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde
CID 63021641
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
CID 54912704
2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
CID 54910260
4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde
CID 61032850

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde (CID 115502475) is 2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde is COc1cc(C=O)c(-c2ccc(C)c(F)c2)cc1OC.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde?
The InChIKey is CEGULOBFAWDDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10-4-5-11(6-14(10)17)13-8-16(20-3)15(19-2)7-12(13)9-18/h4-9H,1-3H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde?
2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde has a molecular weight of 274.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde is sourced from PubChem (CID 115502475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).