2-chloro-6-(2-methylbutoxy)benzaldehyde

C12H15ClO2 — CID 62104198

IUPAC2-chloro-6-(2-methylbutoxy)benzaldehyde
SMILESCCC(C)COc1cccc(Cl)c1C=O
InChIInChI=1S/C12H15ClO2/c1-3-9(2)8-15-12-6-4-5-11(13)10(12)7-14/h4-7,9H,3,8H2,1-2H3
InChIKeyUFYIEROATWHOIJ-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.58
Rot. Bonds5

About 2-chloro-6-(2-methylbutoxy)benzaldehyde

2-chloro-6-(2-methylbutoxy)benzaldehyde (PubChem CID 62104198) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-chloro-6-(2-methylbutoxy)benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-(2-methylbutoxy)benzaldehyde
PubChem CID62104198
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-chloro-6-(2-methylbutoxy)benzaldehyde
SMILESCCC(C)COc1cccc(Cl)c1C=O
InChIInChI=1S/C12H15ClO2/c1-3-9(2)8-15-12-6-4-5-11(13)10(12)7-14/h4-7,9H,3,8H2,1-2H3
InChIKeyUFYIEROATWHOIJ-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.58
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

2-chloro-6-(2,2-diethoxyethoxy)benzaldehyde
CID 114459538
2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde
CID 60790501
2-chloro-6-heptoxybenzaldehyde
CID 45282902
2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide
CID 61490026
2-chloro-6-(4-methoxybutoxy)benzaldehyde
CID 104647699
2-chloro-6-[(4-chlorophenyl)methoxy]benzaldehyde
CID 60791930
2-chloro-6-(2-phenoxyethoxy)benzaldehyde
CID 28603977
2-chloro-6-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79355688
2-fluoro-6-(2-methylpropoxy)benzaldehyde
CID 86622730
2,6-dichlorobenzaldehyde;ethane
CID 90823593
2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde
CID 60790504
ethyl 2-(3-chloro-2-formylphenoxy)pentanoate
CID 83041251

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylbutoxy)benzaldehyde?
The IUPAC name of 2-chloro-6-(2-methylbutoxy)benzaldehyde (CID 62104198) is 2-chloro-6-(2-methylbutoxy)benzaldehyde.
What is the SMILES notation for 2-chloro-6-(2-methylbutoxy)benzaldehyde?
The canonical SMILES for 2-chloro-6-(2-methylbutoxy)benzaldehyde is CCC(C)COc1cccc(Cl)c1C=O.
What is the InChIKey of 2-chloro-6-(2-methylbutoxy)benzaldehyde?
The InChIKey is UFYIEROATWHOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-3-9(2)8-15-12-6-4-5-11(13)10(12)7-14/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-chloro-6-(2-methylbutoxy)benzaldehyde?
2-chloro-6-(2-methylbutoxy)benzaldehyde has a molecular weight of 226.70 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylbutoxy)benzaldehyde is sourced from PubChem (CID 62104198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).