2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde

C14H10Cl2O3 — CID 22633197

IUPAC2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2ccc(Cl)cc2Cl)cc1O
InChIInChI=1S/C14H10Cl2O3/c1-19-14-4-8(7-17)11(6-13(14)18)10-3-2-9(15)5-12(10)16/h2-7,18H,1H3
InChIKeyFFGFSHZHLRZWOK-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.19
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde

2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde (PubChem CID 22633197) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde
PubChem CID22633197
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2ccc(Cl)cc2Cl)cc1O
InChIInChI=1S/C14H10Cl2O3/c1-19-14-4-8(7-17)11(6-13(14)18)10-3-2-9(15)5-12(10)16/h2-7,18H,1H3
InChIKeyFFGFSHZHLRZWOK-UHFFFAOYSA-N
XLogP4.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633129
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde
CID 66158473
4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde
CID 22633292
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
2-chloro-5-(2,4-dichlorophenyl)pyridine-4-carbaldehyde
CID 119008873
5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde
CID 87697435
4-chloro-2-methoxy-5-phenylphenol
CID 132557870
3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde
CID 86608680
5-hydroxy-4-methoxy-2-sulfanylbenzaldehyde
CID 90730057
2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde (CID 22633197) is 2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde is COc1cc(C=O)c(-c2ccc(Cl)cc2Cl)cc1O.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde?
The InChIKey is FFGFSHZHLRZWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c1-19-14-4-8(7-17)11(6-13(14)18)10-3-2-9(15)5-12(10)16/h2-7,18H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde?
2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde has a molecular weight of 297.14 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde is sourced from PubChem (CID 22633197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).