2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde

C18H19ClO2 — CID 87530656

IUPAC2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde
SMILESCCc1ccc(CC)c(OCc2cccc(Cl)c2C=O)c1
InChIInChI=1S/C18H19ClO2/c1-3-13-8-9-14(4-2)18(10-13)21-12-15-6-5-7-17(19)16(15)11-20/h5-11H,3-4,12H2,1-2H3
InChIKeyYKRAOTWBIGWLGO-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.86
Rot. Bonds6

About 2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde

2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde (PubChem CID 87530656) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde
PubChem CID87530656
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde
SMILESCCc1ccc(CC)c(OCc2cccc(Cl)c2C=O)c1
InChIInChI=1S/C18H19ClO2/c1-3-13-8-9-14(4-2)18(10-13)21-12-15-6-5-7-17(19)16(15)11-20/h5-11H,3-4,12H2,1-2H3
InChIKeyYKRAOTWBIGWLGO-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene
CID 67069225
2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene
CID 67069193
2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene
CID 67069151
2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde
CID 60790504
2-chloro-6-[(4-chlorophenyl)methoxy]benzaldehyde
CID 60791930
4-[(3-chloro-2-formylphenoxy)methyl]-3-methylbenzonitrile
CID 114482390
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271
2-(aminomethyl)-6-chlorobenzaldehyde
CID 174425171
4-chloro-3-[(2-ethylphenoxy)methyl]aniline
CID 43364206
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
2,6-dichlorobenzaldehyde;ethane
CID 90823593
2,6-dichloro-3-ethylbenzaldehyde
CID 86691282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde?
The IUPAC name of 2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde (CID 87530656) is 2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde.
What is the SMILES notation for 2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde?
The canonical SMILES for 2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde is CCc1ccc(CC)c(OCc2cccc(Cl)c2C=O)c1.
What is the InChIKey of 2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde?
The InChIKey is YKRAOTWBIGWLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-3-13-8-9-14(4-2)18(10-13)21-12-15-6-5-7-17(19)16(15)11-20/h5-11H,3-4,12H2,1-2H3.
What are the key properties of 2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde?
2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde has a molecular weight of 302.80 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde is sourced from PubChem (CID 87530656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).