fluorobenzene;4-methoxybenzaldehyde

C14H13FO2 — CID 175119443

IUPACfluorobenzene;4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1.Fc1ccccc1
InChIInChI=1S/C8H8O2.C6H5F/c1-10-8-4-2-7(6-9)3-5-8;7-6-4-2-1-3-5-6/h2-6H,1H3;1-5H
InChIKeyGXEPCBUZDDHMJM-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.33
Rot. Bonds2

About fluorobenzene;4-methoxybenzaldehyde

fluorobenzene;4-methoxybenzaldehyde (PubChem CID 175119443) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is fluorobenzene;4-methoxybenzaldehyde.

Molecular Properties

Compound Namefluorobenzene;4-methoxybenzaldehyde
PubChem CID175119443
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Namefluorobenzene;4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1.Fc1ccccc1
InChIInChI=1S/C8H8O2.C6H5F/c1-10-8-4-2-7(6-9)3-5-8;7-6-4-2-1-3-5-6/h2-6H,1H3;1-5H
InChIKeyGXEPCBUZDDHMJM-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.33
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

4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-methoxybenzaldehyde;toluene
CID 174462701
benzaldehyde;1-methoxy-4-methylbenzene
CID 142165597
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
anisole;benzaldehyde;ethane;methoxymethane
CID 159133619
benzaldehyde;4-methoxyaniline
CID 159915454
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
4-[bis(4-methoxyphenyl)-methyl-λ4-sulfanyl]benzaldehyde
CID 143277732

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;4-methoxybenzaldehyde?
The IUPAC name of fluorobenzene;4-methoxybenzaldehyde (CID 175119443) is fluorobenzene;4-methoxybenzaldehyde.
What is the SMILES notation for fluorobenzene;4-methoxybenzaldehyde?
The canonical SMILES for fluorobenzene;4-methoxybenzaldehyde is COc1ccc(C=O)cc1.Fc1ccccc1.
What is the InChIKey of fluorobenzene;4-methoxybenzaldehyde?
The InChIKey is GXEPCBUZDDHMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C6H5F/c1-10-8-4-2-7(6-9)3-5-8;7-6-4-2-1-3-5-6/h2-6H,1H3;1-5H.
What are the key properties of fluorobenzene;4-methoxybenzaldehyde?
fluorobenzene;4-methoxybenzaldehyde has a molecular weight of 232.25 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;4-methoxybenzaldehyde is sourced from PubChem (CID 175119443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).