2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde

C9H9FO2 — CID 83873729

IUPAC2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde
SMILESCc1cc(F)cc(CC=O)c1O
InChIInChI=1S/C9H9FO2/c1-6-4-8(10)5-7(2-3-11)9(6)12/h3-5,12H,2H2,1H3
InChIKeyKFWZBZXGPNJYHS-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.58
Rot. Bonds2

About 2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde

2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde (PubChem CID 83873729) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde
PubChem CID83873729
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde
SMILESCc1cc(F)cc(CC=O)c1O
InChIInChI=1S/C9H9FO2/c1-6-4-8(10)5-7(2-3-11)9(6)12/h3-5,12H,2H2,1H3
InChIKeyKFWZBZXGPNJYHS-UHFFFAOYSA-N
XLogP1.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83893529
2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87254004
4-fluoro-2-methyl-6-[2-(methylamino)ethyl]phenol
CID 83876237
2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde
CID 166062863
2-(2-aminooxyethyl)-4-fluoro-6-methylphenol
CID 117280100
3-fluoro-4-hydroxy-5-methylbenzaldehyde
CID 58240544
4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde
CID 59720398
2-(3-bromo-4,5-difluoro-2-hydroxyphenyl)acetaldehyde
CID 83900436
2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol
CID 105463029
4-fluoro-2-methyl-6-(piperidin-4-ylmethyl)phenol
CID 84789132
3-(5-fluoro-2-methoxy-3-methylphenyl)propanal
CID 117286131
2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde
CID 87214166

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde?
The IUPAC name of 2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde (CID 83873729) is 2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde?
The canonical SMILES for 2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde is Cc1cc(F)cc(CC=O)c1O.
What is the InChIKey of 2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde?
The InChIKey is KFWZBZXGPNJYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-6-4-8(10)5-7(2-3-11)9(6)12/h3-5,12H,2H2,1H3.
What are the key properties of 2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde?
2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde has a molecular weight of 168.17 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde is sourced from PubChem (CID 83873729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).