2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde

C15H13FO2 — CID 114077817

IUPAC2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde
SMILESCOc1ccc(-c2cccc(F)c2C)c(C=O)c1
InChIInChI=1S/C15H13FO2/c1-10-13(4-3-5-15(10)16)14-7-6-12(18-2)8-11(14)9-17/h3-9H,1-2H3
InChIKeyQVKMUTSRBGSBRV-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.62
Rot. Bonds3

About 2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde

2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde (PubChem CID 114077817) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde
PubChem CID114077817
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Name2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde
SMILESCOc1ccc(-c2cccc(F)c2C)c(C=O)c1
InChIInChI=1S/C15H13FO2/c1-10-13(4-3-5-15(10)16)14-7-6-12(18-2)8-11(14)9-17/h3-9H,1-2H3
InChIKeyQVKMUTSRBGSBRV-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde?
The IUPAC name of 2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde (CID 114077817) is 2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde?
The canonical SMILES for 2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde is COc1ccc(-c2cccc(F)c2C)c(C=O)c1.
What is the InChIKey of 2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde?
The InChIKey is QVKMUTSRBGSBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-10-13(4-3-5-15(10)16)14-7-6-12(18-2)8-11(14)9-17/h3-9H,1-2H3.
What are the key properties of 2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde?
2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde has a molecular weight of 244.26 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde is sourced from PubChem (CID 114077817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).