3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal

C20H21FO3 — CID 145339163

IUPAC3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal
SMILESO=CCCOC1CCc2cc(OCc3cccc(F)c3)ccc2C1
InChIInChI=1S/C20H21FO3/c21-18-4-1-3-15(11-18)14-24-20-8-6-16-12-19(23-10-2-9-22)7-5-17(16)13-20/h1,3-4,6,8-9,11,13,19H,2,5,7,10,12,14H2
InChIKeyIXHYASIPCSKLNE-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.87
Rot. Bonds7

About 3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal

3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal (PubChem CID 145339163) has the molecular formula C20H21FO3 and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal.

Molecular Properties

Compound Name3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal
PubChem CID145339163
Molecular FormulaC20H21FO3
Molecular Weight328.38 g/mol
Exact Mass328.15
IUPAC Name3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal
SMILESO=CCCOC1CCc2cc(OCc3cccc(F)c3)ccc2C1
InChIInChI=1S/C20H21FO3/c21-18-4-1-3-15(11-18)14-24-20-8-6-16-12-19(23-10-2-9-22)7-5-17(16)13-20/h1,3-4,6,8-9,11,13,19H,2,5,7,10,12,14H2
InChIKeyIXHYASIPCSKLNE-UHFFFAOYSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267
7-[(3-fluorophenyl)methoxy]-3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepine
CID 11152264
2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 129243799
3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid
CID 129243730
7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine
CID 11437671
[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate
CID 69292957
ethyl 2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate;ethyl 2-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate
CID 129285095
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde
CID 18653181
1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine
CID 18361480
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide
CID 11302300
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal?
The IUPAC name of 3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal (CID 145339163) is 3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal.
What is the SMILES notation for 3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal?
The canonical SMILES for 3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal is O=CCCOC1CCc2cc(OCc3cccc(F)c3)ccc2C1.
What is the InChIKey of 3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal?
The InChIKey is IXHYASIPCSKLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO3/c21-18-4-1-3-15(11-18)14-24-20-8-6-16-12-19(23-10-2-9-22)7-5-17(16)13-20/h1,3-4,6,8-9,11,13,19H,2,5,7,10,12,14H2.
What are the key properties of 3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal?
3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal has a molecular weight of 328.38 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal is sourced from PubChem (CID 145339163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).