5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde

C11H13ClO2 — CID 59598753

IUPAC5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde
SMILESCOc1cc(C(C)C)c(Cl)cc1C=O
InChIInChI=1S/C11H13ClO2/c1-7(2)9-5-11(14-3)8(6-13)4-10(9)12/h4-7H,1-3H3
InChIKeyIESNRJYMPMIOAI-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.28
Rot. Bonds3

About 5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde

5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde (PubChem CID 59598753) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde
PubChem CID59598753
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde
SMILESCOc1cc(C(C)C)c(Cl)cc1C=O
InChIInChI=1S/C11H13ClO2/c1-7(2)9-5-11(14-3)8(6-13)4-10(9)12/h4-7H,1-3H3
InChIKeyIESNRJYMPMIOAI-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.28
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

ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
ethane;2-methoxy-4-[2-(methoxymethoxy)ethyl]-5-propan-2-ylbenzaldehyde
CID 142910715
1-chloro-5-(isocyanatomethyl)-4-methoxy-2-propan-2-ylbenzene
CID 117351956
3-amino-1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)propan-1-one
CID 117392852
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine
CID 117331725
4-chloro-5-methoxy-2-methylbenzaldehyde
CID 84769512
N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide
CID 87134854
1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117398229
3-(4-formyl-2,5-dimethoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171871121
1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene
CID 83943646
2-(2-chloro-5-hydroxy-4-methoxyphenyl)propanal
CID 105468143

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde?
The IUPAC name of 5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde (CID 59598753) is 5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde.
What is the SMILES notation for 5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde?
The canonical SMILES for 5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde is COc1cc(C(C)C)c(Cl)cc1C=O.
What is the InChIKey of 5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde?
The InChIKey is IESNRJYMPMIOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-7(2)9-5-11(14-3)8(6-13)4-10(9)12/h4-7H,1-3H3.
What are the key properties of 5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde?
5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde has a molecular weight of 212.68 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde is sourced from PubChem (CID 59598753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).