4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde

C10H9ClO3 — CID 117275802

IUPAC4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde
SMILESCOc1cc(C=O)c(Cl)c2c1OCC2
InChIInChI=1S/C10H9ClO3/c1-13-8-4-6(5-12)9(11)7-2-3-14-10(7)8/h4-5H,2-3H2,1H3
InChIKeyXXUUDRAKWICGQP-UHFFFAOYSA-N
MW212.63 g/mol
LogP2.10
Rot. Bonds2

About 4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde

4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde (PubChem CID 117275802) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde
PubChem CID117275802
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde
SMILESCOc1cc(C=O)c(Cl)c2c1OCC2
InChIInChI=1S/C10H9ClO3/c1-13-8-4-6(5-12)9(11)7-2-3-14-10(7)8/h4-5H,2-3H2,1H3
InChIKeyXXUUDRAKWICGQP-UHFFFAOYSA-N
XLogP2.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.10
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

(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 117305849
2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 117356405
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 117327727
4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 82374449
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117358761
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 117358684
4-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 117429741
ethyl 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoacetate
CID 117458127
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propanal
CID 117458946
1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117454644
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117423076
2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117452538

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The IUPAC name of 4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde (CID 117275802) is 4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for 4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The canonical SMILES for 4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde is COc1cc(C=O)c(Cl)c2c1OCC2.
What is the InChIKey of 4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The InChIKey is XXUUDRAKWICGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c1-13-8-4-6(5-12)9(11)7-2-3-14-10(7)8/h4-5H,2-3H2,1H3.
What are the key properties of 4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde?
4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde has a molecular weight of 212.63 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 117275802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).