4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde

C14H11FO3 — CID 53220432

IUPAC4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde
SMILESCOc1cccc(-c2ccc(C=O)c(O)c2)c1F
InChIInChI=1S/C14H11FO3/c1-18-13-4-2-3-11(14(13)15)9-5-6-10(8-16)12(17)7-9/h2-8,17H,1H3
InChIKeyALNKCWYBLUDALA-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.02
Rot. Bonds3

About 4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde

4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde (PubChem CID 53220432) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde
PubChem CID53220432
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde
SMILESCOc1cccc(-c2ccc(C=O)c(O)c2)c1F
InChIInChI=1S/C14H11FO3/c1-18-13-4-2-3-11(14(13)15)9-5-6-10(8-16)12(17)7-9/h2-8,17H,1H3
InChIKeyALNKCWYBLUDALA-UHFFFAOYSA-N
XLogP3.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876946
3-(2-fluoro-3-methoxyphenyl)benzoic acid
CID 53216650
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
4-(3-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220290
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde
CID 172868912
4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde
CID 53220512
4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 173256042
3-fluoro-4-(2-fluoro-3-methoxyphenyl)benzaldehyde
CID 82811705
4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
CID 114060111
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633129

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde?
The IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde (CID 53220432) is 4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde is COc1cccc(-c2ccc(C=O)c(O)c2)c1F.
What is the InChIKey of 4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde?
The InChIKey is ALNKCWYBLUDALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-18-13-4-2-3-11(14(13)15)9-5-6-10(8-16)12(17)7-9/h2-8,17H,1H3.
What are the key properties of 4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde?
4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde has a molecular weight of 246.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 53220432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).