4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde

C20H22O3 — CID 87615692

IUPAC4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(OC3CCCCC3)cc2)cc1
InChIInChI=1S/C20H22O3/c21-14-16-6-10-18(11-7-16)22-15-17-8-12-20(13-9-17)23-19-4-2-1-3-5-19/h6-14,19H,1-5,15H2
InChIKeyGGBFKUMVGUEUKX-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.79
Rot. Bonds6

About 4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde

4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde (PubChem CID 87615692) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde
PubChem CID87615692
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(OC3CCCCC3)cc2)cc1
InChIInChI=1S/C20H22O3/c21-14-16-6-10-18(11-7-16)22-15-17-8-12-20(13-9-17)23-19-4-2-1-3-5-19/h6-14,19H,1-5,15H2
InChIKeyGGBFKUMVGUEUKX-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde
CID 87614482
4-cyclopentyloxybenzaldehyde
CID 3152724
4-cyclopropyloxybenzaldehyde
CID 71423039
4-(2-cyclohexyloxyethoxy)benzaldehyde
CID 87224596
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
4-[(4-nitrosophenyl)methoxy]benzaldehyde
CID 88889564
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
4-[(4-nitrophenyl)methoxy]benzaldehyde
CID 735836
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde
CID 142249286
4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
CID 87176687

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde (CID 87615692) is 4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2ccc(OC3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde?
The InChIKey is GGBFKUMVGUEUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c21-14-16-6-10-18(11-7-16)22-15-17-8-12-20(13-9-17)23-19-4-2-1-3-5-19/h6-14,19H,1-5,15H2.
What are the key properties of 4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde?
4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde has a molecular weight of 310.39 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 87615692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).