2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde

C15H13FO4 — CID 91195039

IUPAC2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde
SMILESCOc1ccccc1-c1cc(O)c(OC)c(F)c1C=O
InChIInChI=1S/C15H13FO4/c1-19-13-6-4-3-5-9(13)10-7-12(18)15(20-2)14(16)11(10)8-17/h3-8,18H,1-2H3
InChIKeyXWRTYDHNXVWVCO-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.03
Rot. Bonds4

About 2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde

2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde (PubChem CID 91195039) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde
PubChem CID91195039
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde
SMILESCOc1ccccc1-c1cc(O)c(OC)c(F)c1C=O
InChIInChI=1S/C15H13FO4/c1-19-13-6-4-3-5-9(13)10-7-12(18)15(20-2)14(16)11(10)8-17/h3-8,18H,1-2H3
InChIKeyXWRTYDHNXVWVCO-UHFFFAOYSA-N
XLogP3.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876946
2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993966
2-fluoro-3-methoxynaphthalene-1-carbaldehyde
CID 142595682
4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220432
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
3-fluoro-4-(2-methoxyphenyl)phenol
CID 53219300
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
2-fluoro-4-(2-methoxyphenyl)phenol
CID 53219298
3-bromo-2-fluoro-6-hydroxy-4-methoxybenzaldehyde
CID 84706801
2,3,5,6-tetrafluoro-4-methoxybenzaldehyde
CID 91620939

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde?
The IUPAC name of 2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde (CID 91195039) is 2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde?
The canonical SMILES for 2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde is COc1ccccc1-c1cc(O)c(OC)c(F)c1C=O.
What is the InChIKey of 2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde?
The InChIKey is XWRTYDHNXVWVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-19-13-6-4-3-5-9(13)10-7-12(18)15(20-2)14(16)11(10)8-17/h3-8,18H,1-2H3.
What are the key properties of 2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde?
2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde has a molecular weight of 276.26 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 91195039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).