5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde

C14H11ClO3 — CID 39224803

IUPAC5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(-c2ccccc2Cl)cc(C=O)c1O
InChIInChI=1S/C14H11ClO3/c1-18-13-7-9(6-10(8-16)14(13)17)11-4-2-3-5-12(11)15/h2-8,17H,1H3
InChIKeyQWZYBFXRTIBEGB-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.53
Rot. Bonds3

About 5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde

5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde (PubChem CID 39224803) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde
PubChem CID39224803
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(-c2ccccc2Cl)cc(C=O)c1O
InChIInChI=1S/C14H11ClO3/c1-18-13-7-9(6-10(8-16)14(13)17)11-4-2-3-5-12(11)15/h2-8,17H,1H3
InChIKeyQWZYBFXRTIBEGB-UHFFFAOYSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.53
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

5-(2-aminophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224754
2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde
CID 126763378
5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599763
5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde
CID 87697435
methyl 3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzoate
CID 59599794
2-hydroxy-5-[3-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 59599926
2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde
CID 39225175
5-[2-(4-chlorophenyl)ethenyl]-2-hydroxy-3-methoxybenzaldehyde
CID 155677733
5-[(E)-2-(4-chlorophenyl)ethenyl]-2-hydroxy-3-methoxybenzaldehyde
CID 139536308

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde (CID 39224803) is 5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde is COc1cc(-c2ccccc2Cl)cc(C=O)c1O.
What is the InChIKey of 5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde?
The InChIKey is QWZYBFXRTIBEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-18-13-7-9(6-10(8-16)14(13)17)11-4-2-3-5-12(11)15/h2-8,17H,1H3.
What are the key properties of 5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde?
5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde has a molecular weight of 262.69 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 39224803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).