2-(3-phenoxypropoxy)benzaldehyde

C16H16O3 — CID 60665355

IUPAC2-(3-phenoxypropoxy)benzaldehyde
SMILESO=Cc1ccccc1OCCCOc1ccccc1
InChIInChI=1S/C16H16O3/c17-13-14-7-4-5-10-16(14)19-12-6-11-18-15-8-2-1-3-9-15/h1-5,7-10,13H,6,11-12H2
InChIKeyFJABBFVLDIFUIK-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.35
Rot. Bonds7

About 2-(3-phenoxypropoxy)benzaldehyde

2-(3-phenoxypropoxy)benzaldehyde (PubChem CID 60665355) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3-phenoxypropoxy)benzaldehyde.

Molecular Properties

Compound Name2-(3-phenoxypropoxy)benzaldehyde
PubChem CID60665355
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(3-phenoxypropoxy)benzaldehyde
SMILESO=Cc1ccccc1OCCCOc1ccccc1
InChIInChI=1S/C16H16O3/c17-13-14-7-4-5-10-16(14)19-12-6-11-18-15-8-2-1-3-9-15/h1-5,7-10,13H,6,11-12H2
InChIKeyFJABBFVLDIFUIK-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.35
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

2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde
CID 11389108
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
5-nitro-2-(3-phenoxypropoxy)benzaldehyde
CID 60602345
5-methyl-2-(2-phenoxyethoxy)benzaldehyde
CID 54794871
2-[5-(dimethylamino)pentoxy]benzaldehyde
CID 21404637
3-(2-formylphenoxy)propane-1-sulfonic acid
CID 14946404
2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]benzaldehyde
CID 2231461
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
1-bromo-2-(3-phenoxypropoxy)benzene
CID 60665314
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
2-chloro-6-(2-phenoxyethoxy)benzaldehyde
CID 28603977

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropoxy)benzaldehyde?
The IUPAC name of 2-(3-phenoxypropoxy)benzaldehyde (CID 60665355) is 2-(3-phenoxypropoxy)benzaldehyde.
What is the SMILES notation for 2-(3-phenoxypropoxy)benzaldehyde?
The canonical SMILES for 2-(3-phenoxypropoxy)benzaldehyde is O=Cc1ccccc1OCCCOc1ccccc1.
What is the InChIKey of 2-(3-phenoxypropoxy)benzaldehyde?
The InChIKey is FJABBFVLDIFUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-13-14-7-4-5-10-16(14)19-12-6-11-18-15-8-2-1-3-9-15/h1-5,7-10,13H,6,11-12H2.
What are the key properties of 2-(3-phenoxypropoxy)benzaldehyde?
2-(3-phenoxypropoxy)benzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropoxy)benzaldehyde is sourced from PubChem (CID 60665355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).