3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde

C15H12ClFO3 — CID 882398

IUPAC3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1OCc1cccc(F)c1
InChIInChI=1S/C15H12ClFO3/c1-19-14-7-11(8-18)6-13(16)15(14)20-9-10-3-2-4-12(17)5-10/h2-8H,9H2,1H3
InChIKeyZXRHLHVARQYYTA-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.88
Rot. Bonds5

About 3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde

3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde (PubChem CID 882398) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is 3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde.

Molecular Properties

Compound Name3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde
PubChem CID882398
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1OCc1cccc(F)c1
InChIInChI=1S/C15H12ClFO3/c1-19-14-7-11(8-18)6-13(16)15(14)20-9-10-3-2-4-12(17)5-10/h2-8H,9H2,1H3
InChIKeyZXRHLHVARQYYTA-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.88
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

3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde
CID 2227802
4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde
CID 82057207
3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 43646171
N-[(E)-[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126322599
3-chloro-5-methoxy-4-(phenylmethoxymethoxy)benzaldehyde
CID 102939672
4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 4770099
N-[5-[[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 4007476
3-[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 2888942
N-[(Z)-[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 126221063
(5E)-5-[[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126079810
(5E)-5-[[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
CID 126244687
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde?
The IUPAC name of 3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde (CID 882398) is 3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde.
What is the SMILES notation for 3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde?
The canonical SMILES for 3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde is COc1cc(C=O)cc(Cl)c1OCc1cccc(F)c1.
What is the InChIKey of 3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde?
The InChIKey is ZXRHLHVARQYYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-19-14-7-11(8-18)6-13(16)15(14)20-9-10-3-2-4-12(17)5-10/h2-8H,9H2,1H3.
What are the key properties of 3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde?
3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde has a molecular weight of 294.71 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde is sourced from PubChem (CID 882398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).