methyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate

C10H9ClO5 — CID 6426724

IUPACmethyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate
SMILESCOC(=O)c1c(C)c(Cl)c(O)c(C=O)c1O
InChIInChI=1S/C10H9ClO5/c1-4-6(10(15)16-2)8(13)5(3-12)9(14)7(4)11/h3,13-14H,1-2H3
InChIKeyFFAOPIYWYBVPCE-UHFFFAOYSA-N
MW244.63 g/mol
LogP1.66
Rot. Bonds2

About methyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate

methyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate (PubChem CID 6426724) has the molecular formula C10H9ClO5 and a molecular weight of 244.63 g/mol. Its IUPAC name is methyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate
PubChem CID6426724
Molecular FormulaC10H9ClO5
Molecular Weight244.63 g/mol
Exact Mass244.01
IUPAC Namemethyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate
SMILESCOC(=O)c1c(C)c(Cl)c(O)c(C=O)c1O
InChIInChI=1S/C10H9ClO5/c1-4-6(10(15)16-2)8(13)5(3-12)9(14)7(4)11/h3,13-14H,1-2H3
InChIKeyFFAOPIYWYBVPCE-UHFFFAOYSA-N
XLogP1.66
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 8-chloro-10-formyl-2,9-dihydroxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-3-carboxylate
CID 163046834
methyl 4-(3,5-diformyl-2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate
CID 601423
methyl 2,5-dichloro-3,6-dihydroxy-4-methylbenzoate
CID 140966674
methyl 5-chloro-4-formyl-2-methyl-1H-pyrrole-3-carboxylate
CID 146082003
trimethyl 4-chloro-5,6-dihydroxybenzene-1,2,3-tricarboxylate
CID 53254317
methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate
CID 71332014
methyl 2,3,4,5,6-pentachlorobenzoate
CID 12827694
3-formyl-2,4-dihydroxy-5,6-dimethylbenzoic acid
CID 86112736
3-formyl-2,4,6-trihydroxy-5-methylbenzoic acid
CID 175200191
methyl 2,5-dichloro-3,4,6-trifluorobenzoate
CID 134648303
methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477
methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate
CID 154361957

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate?
The IUPAC name of methyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate (CID 6426724) is methyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate.
What is the SMILES notation for methyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate?
The canonical SMILES for methyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate is COC(=O)c1c(C)c(Cl)c(O)c(C=O)c1O.
What is the InChIKey of methyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate?
The InChIKey is FFAOPIYWYBVPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO5/c1-4-6(10(15)16-2)8(13)5(3-12)9(14)7(4)11/h3,13-14H,1-2H3.
What are the key properties of methyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate?
methyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate has a molecular weight of 244.63 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate is sourced from PubChem (CID 6426724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).