5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde

C19H13ClO4 — CID 169335865

IUPAC5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)o2)c(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H13ClO4/c1-23-14-6-8-16(18-9-7-15(11-21)24-18)17(10-14)19(22)12-2-4-13(20)5-3-12/h2-11H,1H3
InChIKeyHKWOQNFXWMBEJZ-UHFFFAOYSA-N
MW340.76 g/mol
LogP4.65
Rot. Bonds5

About 5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde

5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde (PubChem CID 169335865) has the molecular formula C19H13ClO4 and a molecular weight of 340.76 g/mol. Its IUPAC name is 5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde
PubChem CID169335865
Molecular FormulaC19H13ClO4
Molecular Weight340.76 g/mol
Exact Mass340.05
IUPAC Name5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)o2)c(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H13ClO4/c1-23-14-6-8-16(18-9-7-15(11-21)24-18)17(10-14)19(22)12-2-4-13(20)5-3-12/h2-11H,1H3
InChIKeyHKWOQNFXWMBEJZ-UHFFFAOYSA-N
XLogP4.65
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 54.65
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

5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169332115
5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde
CID 169336137
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid
CID 169334858
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
5-[2-(3-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 58838892
N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 135058493
propan-2-yl 3-chloro-4-(5-formylfuran-2-yl)benzoate
CID 94675113
5-[6-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-7-yl]furan-2-carbaldehyde
CID 169334872
2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione
CID 168519707
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid
CID 169335175

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde (CID 169335865) is 5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde is COc1ccc(-c2ccc(C=O)o2)c(C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde?
The InChIKey is HKWOQNFXWMBEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClO4/c1-23-14-6-8-16(18-9-7-15(11-21)24-18)17(10-14)19(22)12-2-4-13(20)5-3-12/h2-11H,1H3.
What are the key properties of 5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde?
5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde has a molecular weight of 340.76 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169335865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).