5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde

C15H13FO3 — CID 54910498

IUPAC5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
SMILESCOc1ccc(-c2cc(F)ccc2OC)cc1C=O
InChIInChI=1S/C15H13FO3/c1-18-14-5-3-10(7-11(14)9-17)13-8-12(16)4-6-15(13)19-2/h3-9H,1-2H3
InChIKeyWBBVIGVIDKTYMQ-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.32
Rot. Bonds4

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

5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde (PubChem CID 54910498) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
PubChem CID54910498
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
SMILESCOc1ccc(-c2cc(F)ccc2OC)cc1C=O
InChIInChI=1S/C15H13FO3/c1-18-14-5-3-10(7-11(14)9-17)13-8-12(16)4-6-15(13)19-2/h3-9H,1-2H3
InChIKeyWBBVIGVIDKTYMQ-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.32
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

5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133
4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
CID 114060111
5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
CID 54912704
3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde
CID 164891680
2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenol
CID 53219462
2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635
5-(5-fluoro-2-methoxyphenyl)-2-methylphenol
CID 53218963
2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline
CID 81289951

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde (CID 54910498) is 5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde is COc1ccc(-c2cc(F)ccc2OC)cc1C=O.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde?
The InChIKey is WBBVIGVIDKTYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-18-14-5-3-10(7-11(14)9-17)13-8-12(16)4-6-15(13)19-2/h3-9H,1-2H3.
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde?
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde has a molecular weight of 260.26 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde is sourced from PubChem (CID 54910498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).