3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde

C17H15FO2 — CID 43826149

IUPAC3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde
SMILESO=Cc1ccc(OC2CCCc3ccccc32)c(F)c1
InChIInChI=1S/C17H15FO2/c18-15-10-12(11-19)8-9-17(15)20-16-7-3-5-13-4-1-2-6-14(13)16/h1-2,4,6,8-11,16H,3,5,7H2
InChIKeyIZUPGKZBJANJTN-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.09
Rot. Bonds3

About 3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde

3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde (PubChem CID 43826149) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde
PubChem CID43826149
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde
SMILESO=Cc1ccc(OC2CCCc3ccccc32)c(F)c1
InChIInChI=1S/C17H15FO2/c18-15-10-12(11-19)8-9-17(15)20-16-7-3-5-13-4-1-2-6-14(13)16/h1-2,4,6,8-11,16H,3,5,7H2
InChIKeyIZUPGKZBJANJTN-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937764
2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 60790202
4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66101922
3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 107689607
5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66081752
3-fluoro-4-(3-oxocyclopentyl)oxybenzaldehyde
CID 107692050
3,5-difluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 81287430
2-bromo-3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 107534235
ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate
CID 23136317
5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
CID 79727300
(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937787
4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
CID 63356926

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde?
The IUPAC name of 3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde (CID 43826149) is 3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde?
The canonical SMILES for 3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde is O=Cc1ccc(OC2CCCc3ccccc32)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde?
The InChIKey is IZUPGKZBJANJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c18-15-10-12(11-19)8-9-17(15)20-16-7-3-5-13-4-1-2-6-14(13)16/h1-2,4,6,8-11,16H,3,5,7H2.
What are the key properties of 3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde?
3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde has a molecular weight of 270.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde is sourced from PubChem (CID 43826149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).