4-(chloromethyl)-2-methoxybenzaldehyde

C9H9ClO2 — CID 141225522

IUPAC4-(chloromethyl)-2-methoxybenzaldehyde
SMILESCOc1cc(CCl)ccc1C=O
InChIInChI=1S/C9H9ClO2/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4,6H,5H2,1H3
InChIKeyFCXZAJXXQAWRFY-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.25
Rot. Bonds3

About 4-(chloromethyl)-2-methoxybenzaldehyde

4-(chloromethyl)-2-methoxybenzaldehyde (PubChem CID 141225522) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(chloromethyl)-2-methoxybenzaldehyde
PubChem CID141225522
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name4-(chloromethyl)-2-methoxybenzaldehyde
SMILESCOc1cc(CCl)ccc1C=O
InChIInChI=1S/C9H9ClO2/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4,6H,5H2,1H3
InChIKeyFCXZAJXXQAWRFY-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formyl-3-methoxyphenyl)acetonitrile
CID 21348723
2-chloro-4-(chloromethyl)benzaldehyde
CID 54148078
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxybenzaldehyde
CID 19348493
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(chloromethyl)-2-fluorobenzaldehyde
CID 91032796
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde
CID 167714406
2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde
CID 51340439
2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde
CID 11034426
4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde
CID 135290952
4-(benzylamino)-2-methoxybenzaldehyde
CID 54461880
4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde
CID 169475725

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-methoxybenzaldehyde?
The IUPAC name of 4-(chloromethyl)-2-methoxybenzaldehyde (CID 141225522) is 4-(chloromethyl)-2-methoxybenzaldehyde.
What is the SMILES notation for 4-(chloromethyl)-2-methoxybenzaldehyde?
The canonical SMILES for 4-(chloromethyl)-2-methoxybenzaldehyde is COc1cc(CCl)ccc1C=O.
What is the InChIKey of 4-(chloromethyl)-2-methoxybenzaldehyde?
The InChIKey is FCXZAJXXQAWRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4,6H,5H2,1H3.
What are the key properties of 4-(chloromethyl)-2-methoxybenzaldehyde?
4-(chloromethyl)-2-methoxybenzaldehyde has a molecular weight of 184.62 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-methoxybenzaldehyde is sourced from PubChem (CID 141225522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).