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

C15H13FO2 — CID 54912704

IUPAC5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
SMILESCOc1ccc(-c2cc(C)ccc2F)cc1C=O
InChIInChI=1S/C15H13FO2/c1-10-3-5-14(16)13(7-10)11-4-6-15(18-2)12(8-11)9-17/h3-9H,1-2H3
InChIKeyJCDZTALVDPMBNF-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.62
Rot. Bonds3

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

5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde (PubChem CID 54912704) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
PubChem CID54912704
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Name5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
SMILESCOc1ccc(-c2cc(C)ccc2F)cc1C=O
InChIInChI=1S/C15H13FO2/c1-10-3-5-14(16)13(7-10)11-4-6-15(18-2)12(8-11)9-17/h3-9H,1-2H3
InChIKeyJCDZTALVDPMBNF-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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Related Compounds

2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde
CID 54912741
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
5-(2-fluoro-5-methylphenyl)-2-methoxyphenol
CID 53220775
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133
4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde
CID 164891680
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220437
4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde
CID 61032850
4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
CID 114060111
2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde
CID 172650125
2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde
CID 115502475
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde
CID 66097421

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde?
The IUPAC name of 5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde (CID 54912704) is 5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde.
What is the SMILES notation for 5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde?
The canonical SMILES for 5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde is COc1ccc(-c2cc(C)ccc2F)cc1C=O.
What is the InChIKey of 5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde?
The InChIKey is JCDZTALVDPMBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-10-3-5-14(16)13(7-10)11-4-6-15(18-2)12(8-11)9-17/h3-9H,1-2H3.
What are the key properties of 5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde?
5-(2-fluoro-5-methylphenyl)-2-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 5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde is sourced from PubChem (CID 54912704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).