3-(5-phenylmethoxypentoxy)benzaldehyde

C19H22O3 — CID 86637621

IUPAC3-(5-phenylmethoxypentoxy)benzaldehyde
SMILESO=Cc1cccc(OCCCCCOCc2ccccc2)c1
InChIInChI=1S/C19H22O3/c20-15-18-10-7-11-19(14-18)22-13-6-2-5-12-21-16-17-8-3-1-4-9-17/h1,3-4,7-11,14-15H,2,5-6,12-13,16H2
InChIKeyATMXNUPSPJFHJH-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.26
Rot. Bonds10

About 3-(5-phenylmethoxypentoxy)benzaldehyde

3-(5-phenylmethoxypentoxy)benzaldehyde (PubChem CID 86637621) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-(5-phenylmethoxypentoxy)benzaldehyde.

Molecular Properties

Compound Name3-(5-phenylmethoxypentoxy)benzaldehyde
PubChem CID86637621
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name3-(5-phenylmethoxypentoxy)benzaldehyde
SMILESO=Cc1cccc(OCCCCCOCc2ccccc2)c1
InChIInChI=1S/C19H22O3/c20-15-18-10-7-11-19(14-18)22-13-6-2-5-12-21-16-17-8-3-1-4-9-17/h1,3-4,7-11,14-15H,2,5-6,12-13,16H2
InChIKeyATMXNUPSPJFHJH-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.26
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

3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
1-(5-phenylmethoxypentoxy)-3-propoxybenzene
CID 69097457
3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde
CID 83853943
6-(3-formylphenoxy)hexane-1-sulfonic acid
CID 134562395
1-butyl-3-(4-phenylmethoxybutoxy)benzene
CID 69097411
3-butoxybenzaldehyde;ethane
CID 91380350
3-[4-(dimethylamino)butoxy]benzaldehyde
CID 50874377
3-(3-oxopropoxy)benzaldehyde
CID 63040628
3-butoxybenzaldehyde;3-hydroxybenzaldehyde
CID 157058924
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylmethoxypentoxy)benzaldehyde?
The IUPAC name of 3-(5-phenylmethoxypentoxy)benzaldehyde (CID 86637621) is 3-(5-phenylmethoxypentoxy)benzaldehyde.
What is the SMILES notation for 3-(5-phenylmethoxypentoxy)benzaldehyde?
The canonical SMILES for 3-(5-phenylmethoxypentoxy)benzaldehyde is O=Cc1cccc(OCCCCCOCc2ccccc2)c1.
What is the InChIKey of 3-(5-phenylmethoxypentoxy)benzaldehyde?
The InChIKey is ATMXNUPSPJFHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c20-15-18-10-7-11-19(14-18)22-13-6-2-5-12-21-16-17-8-3-1-4-9-17/h1,3-4,7-11,14-15H,2,5-6,12-13,16H2.
What are the key properties of 3-(5-phenylmethoxypentoxy)benzaldehyde?
3-(5-phenylmethoxypentoxy)benzaldehyde has a molecular weight of 298.38 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylmethoxypentoxy)benzaldehyde is sourced from PubChem (CID 86637621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).