3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde

C16H12Cl2O3 — CID 66364358

IUPAC3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)cc(Cl)c1OCC1Cc2ccccc2O1
InChIInChI=1S/C16H12Cl2O3/c17-12-5-11(8-19)16(14(18)7-12)20-9-13-6-10-3-1-2-4-15(10)21-13/h1-5,7-8,13H,6,9H2
InChIKeyDZIJTTNFWNZUEV-UHFFFAOYSA-N
MW323.18 g/mol
LogP4.19
Rot. Bonds4

About 3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde

3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde (PubChem CID 66364358) has the molecular formula C16H12Cl2O3 and a molecular weight of 323.18 g/mol. Its IUPAC name is 3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
PubChem CID66364358
Molecular FormulaC16H12Cl2O3
Molecular Weight323.18 g/mol
Exact Mass322.02
IUPAC Name3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)cc(Cl)c1OCC1Cc2ccccc2O1
InChIInChI=1S/C16H12Cl2O3/c17-12-5-11(8-19)16(14(18)7-12)20-9-13-6-10-3-1-2-4-15(10)21-13/h1-5,7-8,13H,6,9H2
InChIKeyDZIJTTNFWNZUEV-UHFFFAOYSA-N
XLogP4.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.19
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

3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde
CID 79227558
2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66364551
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66363776
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
CID 66348760
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 115956547
3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde
CID 115955508
[4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
CID 114322334
[3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
CID 66364960
3,5-dichloro-2-(2-phenylethoxy)benzaldehyde
CID 18353665
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 62233193
3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde
CID 102939681
[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate
CID 11195526

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde?
The IUPAC name of 3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde (CID 66364358) is 3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde is O=Cc1cc(Cl)cc(Cl)c1OCC1Cc2ccccc2O1.
What is the InChIKey of 3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde?
The InChIKey is DZIJTTNFWNZUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O3/c17-12-5-11(8-19)16(14(18)7-12)20-9-13-6-10-3-1-2-4-15(10)21-13/h1-5,7-8,13H,6,9H2.
What are the key properties of 3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde?
3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde has a molecular weight of 323.18 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 66364358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).