2-chloro-4-(2-methylpropoxy)benzaldehyde

C11H13ClO2 — CID 52982918

IUPAC2-chloro-4-(2-methylpropoxy)benzaldehyde
SMILESCC(C)COc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-8(2)7-14-10-4-3-9(6-13)11(12)5-10/h3-6,8H,7H2,1-2H3
InChIKeyIXDGPKYNYCQQCS-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.19
Rot. Bonds4

About 2-chloro-4-(2-methylpropoxy)benzaldehyde

2-chloro-4-(2-methylpropoxy)benzaldehyde (PubChem CID 52982918) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropoxy)benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-(2-methylpropoxy)benzaldehyde
PubChem CID52982918
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-chloro-4-(2-methylpropoxy)benzaldehyde
SMILESCC(C)COc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-8(2)7-14-10-4-3-9(6-13)11(12)5-10/h3-6,8H,7H2,1-2H3
InChIKeyIXDGPKYNYCQQCS-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.19
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

3-chloro-2-fluoro-5-(2-methylpropoxy)benzaldehyde
CID 171368194
(E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide
CID 70685929
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
5-(2-methylpropoxy)-2-nitrobenzaldehyde
CID 21469084
methyl (2S)-4-(3-chloro-4-formylphenoxy)-2-methylbutanoate
CID 178028992
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
4-(2-methylpropoxy)-2-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651184
4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde
CID 172651475
2-chloro-4-(3,4-dichlorophenoxy)benzaldehyde
CID 114064183
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
2-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 114064170
2-chloro-N-ethyl-4-(2-methylpropoxy)aniline
CID 82551741

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropoxy)benzaldehyde?
The IUPAC name of 2-chloro-4-(2-methylpropoxy)benzaldehyde (CID 52982918) is 2-chloro-4-(2-methylpropoxy)benzaldehyde.
What is the SMILES notation for 2-chloro-4-(2-methylpropoxy)benzaldehyde?
The canonical SMILES for 2-chloro-4-(2-methylpropoxy)benzaldehyde is CC(C)COc1ccc(C=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-methylpropoxy)benzaldehyde?
The InChIKey is IXDGPKYNYCQQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-8(2)7-14-10-4-3-9(6-13)11(12)5-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-chloro-4-(2-methylpropoxy)benzaldehyde?
2-chloro-4-(2-methylpropoxy)benzaldehyde has a molecular weight of 212.68 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpropoxy)benzaldehyde is sourced from PubChem (CID 52982918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).