3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde

C15H13FO3 — CID 563706

IUPAC3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
SMILESCOc1c(F)cc(C=O)cc1OCc1ccccc1
InChIInChI=1S/C15H13FO3/c1-18-15-13(16)7-12(9-17)8-14(15)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyLQUNIEGQKWQUQY-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.23
Rot. Bonds5

About 3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde

3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde (PubChem CID 563706) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
PubChem CID563706
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
SMILESCOc1c(F)cc(C=O)cc1OCc1ccccc1
InChIInChI=1S/C15H13FO3/c1-18-15-13(16)7-12(9-17)8-14(15)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyLQUNIEGQKWQUQY-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.23
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-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
4-phenylmethoxynaphthalene-2-carbaldehyde
CID 71757507
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde
CID 46909849
3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
CID 22636947
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004
4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
CID 22456878
3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71659035

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde?
The IUPAC name of 3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde (CID 563706) is 3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde.
What is the SMILES notation for 3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde?
The canonical SMILES for 3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde is COc1c(F)cc(C=O)cc1OCc1ccccc1.
What is the InChIKey of 3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde?
The InChIKey is LQUNIEGQKWQUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-18-15-13(16)7-12(9-17)8-14(15)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of 3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde?
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde has a molecular weight of 260.26 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde is sourced from PubChem (CID 563706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).