4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde

C22H18O4 — CID 172650789

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde
SMILESO=Cc1ccc(-c2ccc3c(c2)OCCO3)cc1OCc1ccccc1
InChIInChI=1S/C22H18O4/c23-14-19-7-6-17(12-21(19)26-15-16-4-2-1-3-5-16)18-8-9-20-22(13-18)25-11-10-24-20/h1-9,12-14H,10-11,15H2
InChIKeyFPYSIZRDEWJFQY-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.52
Rot. Bonds5

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde (PubChem CID 172650789) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde
PubChem CID172650789
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde
SMILESO=Cc1ccc(-c2ccc3c(c2)OCCO3)cc1OCc1ccccc1
InChIInChI=1S/C22H18O4/c23-14-19-7-6-17(12-21(19)26-15-16-4-2-1-3-5-16)18-8-9-20-22(13-18)25-11-10-24-20/h1-9,12-14H,10-11,15H2
InChIKeyFPYSIZRDEWJFQY-UHFFFAOYSA-N
XLogP4.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
CID 59839615
2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde
CID 86709347
3-[[5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methylamino]-2-formylphenoxy]methyl]benzonitrile
CID 166973551
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-[(4-fluorophenyl)methoxy]benzaldehyde
CID 155375219
5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 155375186
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
3-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde
CID 118434771
2-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 166595085
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]benzaldehyde
CID 155375197
14-[[2-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethoxy)phenoxy]methyl]-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaene
CID 11491620

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde (CID 172650789) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde is O=Cc1ccc(-c2ccc3c(c2)OCCO3)cc1OCc1ccccc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde?
The InChIKey is FPYSIZRDEWJFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c23-14-19-7-6-17(12-21(19)26-15-16-4-2-1-3-5-16)18-8-9-20-22(13-18)25-11-10-24-20/h1-9,12-14H,10-11,15H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde has a molecular weight of 346.38 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde is sourced from PubChem (CID 172650789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).