4-dibenzofuran-1-yl-2-methoxybenzaldehyde

C20H14O3 — CID 22566659

IUPAC4-dibenzofuran-1-yl-2-methoxybenzaldehyde
SMILESCOc1cc(-c2cccc3oc4ccccc4c23)ccc1C=O
InChIInChI=1S/C20H14O3/c1-22-19-11-13(9-10-14(19)12-21)15-6-4-8-18-20(15)16-5-2-3-7-17(16)23-18/h2-12H,1H3
InChIKeyISMJUZSVLFLHRT-UHFFFAOYSA-N
MW302.33 g/mol
LogP5.07
Rot. Bonds3

About 4-dibenzofuran-1-yl-2-methoxybenzaldehyde

4-dibenzofuran-1-yl-2-methoxybenzaldehyde (PubChem CID 22566659) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-2-methoxybenzaldehyde
PubChem CID22566659
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name4-dibenzofuran-1-yl-2-methoxybenzaldehyde
SMILESCOc1cc(-c2cccc3oc4ccccc4c23)ccc1C=O
InChIInChI=1S/C20H14O3/c1-22-19-11-13(9-10-14(19)12-21)15-6-4-8-18-20(15)16-5-2-3-7-17(16)23-18/h2-12H,1H3
InChIKeyISMJUZSVLFLHRT-UHFFFAOYSA-N
XLogP5.07
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.33
LogP ≤ 55.07
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

2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649769
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
4-dibenzofuran-1-yl-N-methyl-N-phenylaniline
CID 134561321
3-dibenzofuran-1-yl-9-methylcarbazole
CID 137388254
3-trimethylstannyldibenzofuran-1-carbaldehyde
CID 19737920
N-(4-dibenzofuran-1-ylphenyl)-N-methyl-4-phenylaniline
CID 167230878
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441918
1,2-dimethoxy-9-oxoxanthene-4-carbaldehyde
CID 71664197
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran
CID 170175004

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-2-methoxybenzaldehyde?
The IUPAC name of 4-dibenzofuran-1-yl-2-methoxybenzaldehyde (CID 22566659) is 4-dibenzofuran-1-yl-2-methoxybenzaldehyde.
What is the SMILES notation for 4-dibenzofuran-1-yl-2-methoxybenzaldehyde?
The canonical SMILES for 4-dibenzofuran-1-yl-2-methoxybenzaldehyde is COc1cc(-c2cccc3oc4ccccc4c23)ccc1C=O.
What is the InChIKey of 4-dibenzofuran-1-yl-2-methoxybenzaldehyde?
The InChIKey is ISMJUZSVLFLHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c1-22-19-11-13(9-10-14(19)12-21)15-6-4-8-18-20(15)16-5-2-3-7-17(16)23-18/h2-12H,1H3.
What are the key properties of 4-dibenzofuran-1-yl-2-methoxybenzaldehyde?
4-dibenzofuran-1-yl-2-methoxybenzaldehyde has a molecular weight of 302.33 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-2-methoxybenzaldehyde is sourced from PubChem (CID 22566659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).