5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane

C10H13ClO3 — CID 143926582

IUPAC5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane
SMILESCOC.Cc1cc(O)c(C=O)cc1Cl
InChIInChI=1S/C8H7ClO2.C2H6O/c1-5-2-8(11)6(4-10)3-7(5)9;1-3-2/h2-4,11H,1H3;1-2H3
InChIKeyMMSLODTXTSQPPM-UHFFFAOYSA-N
MW216.66 g/mol
LogP2.43
Rot. Bonds1

About 5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane

5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane (PubChem CID 143926582) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane.

Molecular Properties

Compound Name5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane
PubChem CID143926582
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane
SMILESCOC.Cc1cc(O)c(C=O)cc1Cl
InChIInChI=1S/C8H7ClO2.C2H6O/c1-5-2-8(11)6(4-10)3-7(5)9;1-3-2/h2-4,11H,1H3;1-2H3
InChIKeyMMSLODTXTSQPPM-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2,4-dimethylbenzaldehyde
CID 82645261
4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde
CID 177311411
methyl 2-chloro-5-formyl-4-hydroxybenzoate
CID 130063171
4-chloro-5-methylbenzene-1,2-diol
CID 23510503
methyl 2-(5-chloro-2-formyl-4-methylphenyl)acetate
CID 171021917
2,5-dichloro-4-hydroxybenzaldehyde
CID 528381
4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol
CID 135674639
2-chloro-4-hydroxy-3-methoxy-6-methylbenzaldehyde
CID 105453176
3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde
CID 105453179
4-chloro-5-methoxy-2-methylbenzaldehyde
CID 84769512
5-chloro-2-ethyl-4-hydroxybenzaldehyde
CID 77174862
(4-chloro-2-hydroxy-5-methylphenoxy)boronic acid
CID 142793819

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane?
The IUPAC name of 5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane (CID 143926582) is 5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane.
What is the SMILES notation for 5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane?
The canonical SMILES for 5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane is COC.Cc1cc(O)c(C=O)cc1Cl.
What is the InChIKey of 5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane?
The InChIKey is MMSLODTXTSQPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2.C2H6O/c1-5-2-8(11)6(4-10)3-7(5)9;1-3-2/h2-4,11H,1H3;1-2H3.
What are the key properties of 5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane?
5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane has a molecular weight of 216.66 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane is sourced from PubChem (CID 143926582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).