3-[2-(oxan-3-yloxy)phenyl]propanal

C14H18O3 — CID 117340444

IUPAC3-[2-(oxan-3-yloxy)phenyl]propanal
SMILESO=CCCc1ccccc1OC1CCCOC1
InChIInChI=1S/C14H18O3/c15-9-3-6-12-5-1-2-8-14(12)17-13-7-4-10-16-11-13/h1-2,5,8-9,13H,3-4,6-7,10-11H2
InChIKeyNWXAXPRLHRVSEB-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.38
Rot. Bonds5

About 3-[2-(oxan-3-yloxy)phenyl]propanal

3-[2-(oxan-3-yloxy)phenyl]propanal (PubChem CID 117340444) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[2-(oxan-3-yloxy)phenyl]propanal.

Molecular Properties

Compound Name3-[2-(oxan-3-yloxy)phenyl]propanal
PubChem CID117340444
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name3-[2-(oxan-3-yloxy)phenyl]propanal
SMILESO=CCCc1ccccc1OC1CCCOC1
InChIInChI=1S/C14H18O3/c15-9-3-6-12-5-1-2-8-14(12)17-13-7-4-10-16-11-13/h1-2,5,8-9,13H,3-4,6-7,10-11H2
InChIKeyNWXAXPRLHRVSEB-UHFFFAOYSA-N
XLogP2.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.38
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

3-[2-(chloromethyl)phenoxy]oxane
CID 107135119
1-[[2-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117374038
3-naphthalen-1-yloxyoxane
CID 107137916
N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 63558326
1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine
CID 117443013
2-[2-(oxolan-3-yloxy)phenyl]acetic acid
CID 80741380
(E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117338381
[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
CID 84700687
4-[2-methoxy-3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117474860
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417565
1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea
CID 126787197
(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol
CID 107135067

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-3-yloxy)phenyl]propanal?
The IUPAC name of 3-[2-(oxan-3-yloxy)phenyl]propanal (CID 117340444) is 3-[2-(oxan-3-yloxy)phenyl]propanal.
What is the SMILES notation for 3-[2-(oxan-3-yloxy)phenyl]propanal?
The canonical SMILES for 3-[2-(oxan-3-yloxy)phenyl]propanal is O=CCCc1ccccc1OC1CCCOC1.
What is the InChIKey of 3-[2-(oxan-3-yloxy)phenyl]propanal?
The InChIKey is NWXAXPRLHRVSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-9-3-6-12-5-1-2-8-14(12)17-13-7-4-10-16-11-13/h1-2,5,8-9,13H,3-4,6-7,10-11H2.
What are the key properties of 3-[2-(oxan-3-yloxy)phenyl]propanal?
3-[2-(oxan-3-yloxy)phenyl]propanal has a molecular weight of 234.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-3-yloxy)phenyl]propanal is sourced from PubChem (CID 117340444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).