5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde

C21H17FO4 — CID 59599822

IUPAC5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(-c2ccc(OCc3ccccc3)c(F)c2)cc(C=O)c1O
InChIInChI=1S/C21H17FO4/c1-25-20-11-16(9-17(12-23)21(20)24)15-7-8-19(18(22)10-15)26-13-14-5-3-2-4-6-14/h2-12,24H,13H2,1H3
InChIKeyOKZPSPQQUHWJBL-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.60
Rot. Bonds6

About 5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde

5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde (PubChem CID 59599822) has the molecular formula C21H17FO4 and a molecular weight of 352.36 g/mol. Its IUPAC name is 5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
PubChem CID59599822
Molecular FormulaC21H17FO4
Molecular Weight352.36 g/mol
Exact Mass352.11
IUPAC Name5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(-c2ccc(OCc3ccccc3)c(F)c2)cc(C=O)c1O
InChIInChI=1S/C21H17FO4/c1-25-20-11-16(9-17(12-23)21(20)24)15-7-8-19(18(22)10-15)26-13-14-5-3-2-4-6-14/h2-12,24H,13H2,1H3
InChIKeyOKZPSPQQUHWJBL-UHFFFAOYSA-N
XLogP4.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-[3-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 59599926
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde
CID 39225175
2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol
CID 23538563
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol
CID 145389555
2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
CID 19430958
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599763

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde (CID 59599822) is 5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde is COc1cc(-c2ccc(OCc3ccccc3)c(F)c2)cc(C=O)c1O.
What is the InChIKey of 5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde?
The InChIKey is OKZPSPQQUHWJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FO4/c1-25-20-11-16(9-17(12-23)21(20)24)15-7-8-19(18(22)10-15)26-13-14-5-3-2-4-6-14/h2-12,24H,13H2,1H3.
What are the key properties of 5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde?
5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde has a molecular weight of 352.36 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 59599822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).