6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde

C17H17FO4 — CID 86664733

IUPAC6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde
SMILESO=Cc1c(F)ccc(OCCCOCc2ccccc2)c1O
InChIInChI=1S/C17H17FO4/c18-15-7-8-16(17(20)14(15)11-19)22-10-4-9-21-12-13-5-2-1-3-6-13/h1-3,5-8,11,20H,4,9-10,12H2
InChIKeyUJPYTGCKNIYWRL-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.33
Rot. Bonds8

About 6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde

6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde (PubChem CID 86664733) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is 6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde.

Molecular Properties

Compound Name6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde
PubChem CID86664733
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Name6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde
SMILESO=Cc1c(F)ccc(OCCCOCc2ccccc2)c1O
InChIInChI=1S/C17H17FO4/c18-15-7-8-16(17(20)14(15)11-19)22-10-4-9-21-12-13-5-2-1-3-6-13/h1-3,5-8,11,20H,4,9-10,12H2
InChIKeyUJPYTGCKNIYWRL-UHFFFAOYSA-N
XLogP3.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-6-phenylmethoxybenzaldehyde
CID 174450407
2-(3-phenylmethoxypropoxy)acetaldehyde
CID 135080827
3-phenylmethoxypropyl trifluoromethanesulfonate
CID 56850444
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162
4-fluoro-3-(3-phenylmethoxypropoxy)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 86664744
2-oxo-5-phenylmethoxypentanal
CID 166844444
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 141442254
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
2-oxo-2-(3-phenylmethoxypropoxy)acetic acid
CID 90995825
5-chloro-3-(3-phenylmethoxypropoxy)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 87421696
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde?
The IUPAC name of 6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde (CID 86664733) is 6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde.
What is the SMILES notation for 6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde?
The canonical SMILES for 6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde is O=Cc1c(F)ccc(OCCCOCc2ccccc2)c1O.
What is the InChIKey of 6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde?
The InChIKey is UJPYTGCKNIYWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c18-15-7-8-16(17(20)14(15)11-19)22-10-4-9-21-12-13-5-2-1-3-6-13/h1-3,5-8,11,20H,4,9-10,12H2.
What are the key properties of 6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde?
6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde has a molecular weight of 304.32 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde is sourced from PubChem (CID 86664733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).