5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal

C12H15FO2 — CID 153295499

IUPAC5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal
SMILESO=CCCCCc1cccc(CO)c1F
InChIInChI=1S/C12H15FO2/c13-12-10(5-2-1-3-8-14)6-4-7-11(12)9-15/h4,6-8,15H,1-3,5,9H2
InChIKeyJNUBQVOJJJPVIC-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.23
Rot. Bonds6

About 5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal

5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal (PubChem CID 153295499) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal.

Molecular Properties

Compound Name5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal
PubChem CID153295499
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal
SMILESO=CCCCCc1cccc(CO)c1F
InChIInChI=1S/C12H15FO2/c13-12-10(5-2-1-3-8-14)6-4-7-11(12)9-15/h4,6-8,15H,1-3,5,9H2
InChIKeyJNUBQVOJJJPVIC-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloro-2-fluorophenyl)butanal
CID 102861971
4-(2-fluoro-3-methoxyphenyl)butanal
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5-(2,6-dihydroxyphenyl)pentanal
CID 142935696
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CID 67384125
3-(3-fluoro-2-hydroxyphenyl)propanal
CID 117276587
2-(2-fluoro-3-pentylphenyl)acetic acid
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3-(2,3-difluorophenyl)propan-1-ol
CID 53434260
5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal
CID 11493360
[2-acetyloxy-3-(8-oxooctyl)phenyl] acetate
CID 15087876
3-(3-bromo-2-fluoro-4-hydroxyphenyl)propanal
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2-fluoro-3-(hydroxymethyl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal?
The IUPAC name of 5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal (CID 153295499) is 5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal.
What is the SMILES notation for 5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal?
The canonical SMILES for 5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal is O=CCCCCc1cccc(CO)c1F.
What is the InChIKey of 5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal?
The InChIKey is JNUBQVOJJJPVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c13-12-10(5-2-1-3-8-14)6-4-7-11(12)9-15/h4,6-8,15H,1-3,5,9H2.
What are the key properties of 5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal?
5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal has a molecular weight of 210.25 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal is sourced from PubChem (CID 153295499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).