3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde

C11H15ClO3Si — CID 167716711

IUPAC3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1O[Si](C)(C)C
InChIInChI=1S/C11H15ClO3Si/c1-14-10-6-8(7-13)5-9(12)11(10)15-16(2,3)4/h5-7H,1-4H3
InChIKeySUIHBYGYJMNICM-UHFFFAOYSA-N
MW258.78 g/mol
LogP3.37
Rot. Bonds4

About 3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde

3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde (PubChem CID 167716711) has the molecular formula C11H15ClO3Si and a molecular weight of 258.78 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde
PubChem CID167716711
Molecular FormulaC11H15ClO3Si
Molecular Weight258.78 g/mol
Exact Mass258.05
IUPAC Name3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1O[Si](C)(C)C
InChIInChI=1S/C11H15ClO3Si/c1-14-10-6-8(7-13)5-9(12)11(10)15-16(2,3)4/h5-7H,1-4H3
InChIKeySUIHBYGYJMNICM-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.78
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-methoxy-4-[(2-methylpropan-2-yl)oxy]benzaldehyde
CID 82037921
3,4-dichloro-5-methoxybenzaldehyde
CID 21483929
4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
CID 22999110
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
4-[(E)-but-2-enoxy]-3-chloro-5-methoxybenzaldehyde
CID 43114907
3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922279
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde
CID 28897739
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
3,5-dimethyl-4-trimethylsilyloxybenzaldehyde
CID 102090063
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019
3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxybenzaldehyde
CID 43807823

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde?
The IUPAC name of 3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde (CID 167716711) is 3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde.
What is the SMILES notation for 3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde?
The canonical SMILES for 3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde is COc1cc(C=O)cc(Cl)c1O[Si](C)(C)C.
What is the InChIKey of 3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde?
The InChIKey is SUIHBYGYJMNICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3Si/c1-14-10-6-8(7-13)5-9(12)11(10)15-16(2,3)4/h5-7H,1-4H3.
What are the key properties of 3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde?
3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde has a molecular weight of 258.78 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde is sourced from PubChem (CID 167716711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).