2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde

C20H18ClFO2 — CID 90426956

IUPAC2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1OCC1=C(c2ccccc2Cl)CCCC1
InChIInChI=1S/C20H18ClFO2/c21-18-9-4-3-8-16(18)15-7-2-1-6-14(15)13-24-20-11-5-10-19(22)17(20)12-23/h3-5,8-12H,1-2,6-7,13H2
InChIKeyLEGDQYBVDVNKMY-UHFFFAOYSA-N
MW344.81 g/mol
LogP5.70
Rot. Bonds5

About 2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde

2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde (PubChem CID 90426956) has the molecular formula C20H18ClFO2 and a molecular weight of 344.81 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde
PubChem CID90426956
Molecular FormulaC20H18ClFO2
Molecular Weight344.81 g/mol
Exact Mass344.10
IUPAC Name2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1OCC1=C(c2ccccc2Cl)CCCC1
InChIInChI=1S/C20H18ClFO2/c21-18-9-4-3-8-16(18)15-7-2-1-6-14(15)13-24-20-11-5-10-19(22)17(20)12-23/h3-5,8-12H,1-2,6-7,13H2
InChIKeyLEGDQYBVDVNKMY-UHFFFAOYSA-N
XLogP5.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.81
LogP ≤ 55.70
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

2-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde
CID 90426954
2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde
CID 90426997
5-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 90427296
3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434143
2-chloro-6-[(4-chlorophenyl)methoxy]benzaldehyde
CID 60791930
3-chloro-6-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]-2-hydroxybenzaldehyde
CID 90427242
2-hydroxy-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]benzaldehyde
CID 90434196
2-fluoro-6-[[5-(2-propan-2-ylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]benzaldehyde
CID 90448278
2-fluoro-6-(2-methylpropoxy)benzaldehyde
CID 86622730
2-fluoro-6-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649734
2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993965
(3-fluoro-2-formylphenoxy)boronic acid
CID 163404826

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde?
The IUPAC name of 2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde (CID 90426956) is 2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde?
The canonical SMILES for 2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde is O=Cc1c(F)cccc1OCC1=C(c2ccccc2Cl)CCCC1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde?
The InChIKey is LEGDQYBVDVNKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFO2/c21-18-9-4-3-8-16(18)15-7-2-1-6-14(15)13-24-20-11-5-10-19(22)17(20)12-23/h3-5,8-12H,1-2,6-7,13H2.
What are the key properties of 2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde?
2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde has a molecular weight of 344.81 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde is sourced from PubChem (CID 90426956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).