5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde

C15H13ClO3 — CID 169335433

IUPAC5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(OCC3CC3)c(Cl)c2)o1
InChIInChI=1S/C15H13ClO3/c16-13-7-11(14-6-4-12(8-17)19-14)3-5-15(13)18-9-10-1-2-10/h3-8,10H,1-2,9H2
InChIKeyOYVLLNSNTCSSEG-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.20
Rot. Bonds5

About 5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde

5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde (PubChem CID 169335433) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde
PubChem CID169335433
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(OCC3CC3)c(Cl)c2)o1
InChIInChI=1S/C15H13ClO3/c16-13-7-11(14-6-4-12(8-17)19-14)3-5-15(13)18-9-10-1-2-10/h3-8,10H,1-2,9H2
InChIKeyOYVLLNSNTCSSEG-UHFFFAOYSA-N
XLogP4.20
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 54.20
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

5-[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]furan-2-carbaldehyde
CID 169334199
5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde
CID 169333455
5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
CID 169333423
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde
CID 145228205
3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362
5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde
CID 169332944
2-chloro-1-(cyclopropylmethoxy)-4-isocyanatobenzene
CID 169355278
5-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169333971
5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
CID 169334432
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
CID 169334200
5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde
CID 169334376

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde (CID 169335433) is 5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(OCC3CC3)c(Cl)c2)o1.
What is the InChIKey of 5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde?
The InChIKey is OYVLLNSNTCSSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c16-13-7-11(14-6-4-12(8-17)19-14)3-5-15(13)18-9-10-1-2-10/h3-8,10H,1-2,9H2.
What are the key properties of 5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde?
5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde has a molecular weight of 276.72 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169335433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).