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

C19H15ClO3 — CID 169333455

IUPAC5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde
SMILESCc1ccc(Oc2ccc(-c3ccc(C=O)o3)cc2Cl)cc1C
InChIInChI=1S/C19H15ClO3/c1-12-3-5-15(9-13(12)2)22-19-7-4-14(10-17(19)20)18-8-6-16(11-21)23-18/h3-11H,1-2H3
InChIKeyNXPUUKXLPJVLRF-UHFFFAOYSA-N
MW326.78 g/mol
LogP5.82
Rot. Bonds4

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

5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde (PubChem CID 169333455) has the molecular formula C19H15ClO3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde
PubChem CID169333455
Molecular FormulaC19H15ClO3
Molecular Weight326.78 g/mol
Exact Mass326.07
IUPAC Name5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde
SMILESCc1ccc(Oc2ccc(-c3ccc(C=O)o3)cc2Cl)cc1C
InChIInChI=1S/C19H15ClO3/c1-12-3-5-15(9-13(12)2)22-19-7-4-14(10-17(19)20)18-8-6-16(11-21)23-18/h3-11H,1-2H3
InChIKeyNXPUUKXLPJVLRF-UHFFFAOYSA-N
XLogP5.82
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.78
LogP ≤ 55.82
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-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde
CID 169335433
5-[3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde
CID 169332944
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
5-(3-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169331838
3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
CID 81145845
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 55132671
(1R)-1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 63369799
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 19630742
5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde
CID 169334590
5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde
CID 169335432
4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile
CID 169331994
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde (CID 169333455) is 5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde is Cc1ccc(Oc2ccc(-c3ccc(C=O)o3)cc2Cl)cc1C.
What is the InChIKey of 5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde?
The InChIKey is NXPUUKXLPJVLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO3/c1-12-3-5-15(9-13(12)2)22-19-7-4-14(10-17(19)20)18-8-6-16(11-21)23-18/h3-11H,1-2H3.
What are the key properties of 5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde?
5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde has a molecular weight of 326.78 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169333455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).