2-(3-fluorophenyl)-5-methoxybenzaldehyde

C14H11FO2 — CID 46314389

IUPAC2-(3-fluorophenyl)-5-methoxybenzaldehyde
SMILESCOc1ccc(-c2cccc(F)c2)c(C=O)c1
InChIInChI=1S/C14H11FO2/c1-17-13-5-6-14(11(8-13)9-16)10-3-2-4-12(15)7-10/h2-9H,1H3
InChIKeyNZWXAONSOSZPOS-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.31
Rot. Bonds3

About 2-(3-fluorophenyl)-5-methoxybenzaldehyde

2-(3-fluorophenyl)-5-methoxybenzaldehyde (PubChem CID 46314389) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-methoxybenzaldehyde
PubChem CID46314389
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name2-(3-fluorophenyl)-5-methoxybenzaldehyde
SMILESCOc1ccc(-c2cccc(F)c2)c(C=O)c1
InChIInChI=1S/C14H11FO2/c1-17-13-5-6-14(11(8-13)9-16)10-3-2-4-12(15)7-10/h2-9H,1H3
InChIKeyNZWXAONSOSZPOS-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.31
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-methoxy-2-(3-methylphenyl)benzaldehyde
CID 90346664
1-(3-fluorophenyl)-2-iodo-4-methoxybenzene
CID 172675013
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde
CID 114077817
5-methoxy-2-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651190
5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 103694158
2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde
CID 54910502
2-(3-fluorophenyl)-6-methoxynaphthalene
CID 45156519
3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde
CID 170457664
2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
CID 54910260
2-[2-(3-fluorophenyl)-4-methoxyphenyl]acetamide
CID 153365013
ethyl (E)-3-[2-[3-formyl-4-(3-methylphenyl)phenyl]-5-methoxyphenyl]prop-2-enoate
CID 130342690

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-methoxybenzaldehyde?
The IUPAC name of 2-(3-fluorophenyl)-5-methoxybenzaldehyde (CID 46314389) is 2-(3-fluorophenyl)-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(3-fluorophenyl)-5-methoxybenzaldehyde?
The canonical SMILES for 2-(3-fluorophenyl)-5-methoxybenzaldehyde is COc1ccc(-c2cccc(F)c2)c(C=O)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-methoxybenzaldehyde?
The InChIKey is NZWXAONSOSZPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c1-17-13-5-6-14(11(8-13)9-16)10-3-2-4-12(15)7-10/h2-9H,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-methoxybenzaldehyde?
2-(3-fluorophenyl)-5-methoxybenzaldehyde has a molecular weight of 230.24 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-methoxybenzaldehyde is sourced from PubChem (CID 46314389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).