2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde

C18H18O3 — CID 54795080

IUPAC2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde
SMILESO=Cc1cc(-c2ccccc2)ccc1OCC1CCCO1
InChIInChI=1S/C18H18O3/c19-12-16-11-15(14-5-2-1-3-6-14)8-9-18(16)21-13-17-7-4-10-20-17/h1-3,5-6,8-9,11-12,17H,4,7,10,13H2
InChIKeyNJIKDHZPVADXGJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.72
Rot. Bonds5

About 2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde

2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde (PubChem CID 54795080) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde
PubChem CID54795080
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde
SMILESO=Cc1cc(-c2ccccc2)ccc1OCC1CCCO1
InChIInChI=1S/C18H18O3/c19-12-16-11-15(14-5-2-1-3-6-14)8-9-18(16)21-13-17-7-4-10-20-17/h1-3,5-6,8-9,11-12,17H,4,7,10,13H2
InChIKeyNJIKDHZPVADXGJ-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.72
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-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde
CID 43826140
2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17170263
5-phenyl-2-(2-phenylethoxy)benzaldehyde
CID 54795068
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
(E)-3-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 55200916
oxan-2-ylmethyl 3-phenylbenzoate
CID 23625075
potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676632
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
CID 10703784
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 54849922

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde?
The IUPAC name of 2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde (CID 54795080) is 2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde is O=Cc1cc(-c2ccccc2)ccc1OCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde?
The InChIKey is NJIKDHZPVADXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-12-16-11-15(14-5-2-1-3-6-14)8-9-18(16)21-13-17-7-4-10-20-17/h1-3,5-6,8-9,11-12,17H,4,7,10,13H2.
What are the key properties of 2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde?
2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde has a molecular weight of 282.34 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde is sourced from PubChem (CID 54795080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).