5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde

C14H11FO3 — CID 53220437

IUPAC5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
SMILESCOc1ccc(F)c(-c2ccc(O)c(C=O)c2)c1
InChIInChI=1S/C14H11FO3/c1-18-11-3-4-13(15)12(7-11)9-2-5-14(17)10(6-9)8-16/h2-8,17H,1H3
InChIKeyIANBKTRNDIYUAM-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.02
Rot. Bonds3

About 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde

5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde (PubChem CID 53220437) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
PubChem CID53220437
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
SMILESCOc1ccc(F)c(-c2ccc(O)c(C=O)c2)c1
InChIInChI=1S/C14H11FO3/c1-18-11-3-4-13(15)12(7-11)9-2-5-14(17)10(6-9)8-16/h2-8,17H,1H3
InChIKeyIANBKTRNDIYUAM-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-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde
CID 54910502
4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde
CID 172909455
4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876954
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile
CID 53220005
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865
5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde
CID 59784616
4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650701
4-(2,5-dimethoxyphenyl)-2-fluorophenol
CID 53219549
5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
CID 54912704
2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
CID 54910260
5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599763
5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220476

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde?
The IUPAC name of 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde (CID 53220437) is 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde is COc1ccc(F)c(-c2ccc(O)c(C=O)c2)c1.
What is the InChIKey of 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde?
The InChIKey is IANBKTRNDIYUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-18-11-3-4-13(15)12(7-11)9-2-5-14(17)10(6-9)8-16/h2-8,17H,1H3.
What are the key properties of 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde?
5-(2-fluoro-5-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 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 53220437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).