methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate

C18H19ClO6 — CID 160734201

IUPACmethyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate
SMILESCOC(=O)c1cc(Cl)cc(C)c1O.COC(=O)c1cccc(C)c1O
InChIInChI=1S/C9H9ClO3.C9H10O3/c1-5-3-6(10)4-7(8(5)11)9(12)13-2;1-6-4-3-5-7(8(6)10)9(11)12-2/h3-4,11H,1-2H3;3-5,10H,1-2H3
InChIKeyRUSSBFGFDJYPSY-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.63
Rot. Bonds2

About methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate

methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate (PubChem CID 160734201) has the molecular formula C18H19ClO6 and a molecular weight of 366.80 g/mol. Its IUPAC name is methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate
PubChem CID160734201
Molecular FormulaC18H19ClO6
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC Namemethyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate
SMILESCOC(=O)c1cc(Cl)cc(C)c1O.COC(=O)c1cccc(C)c1O
InChIInChI=1S/C9H9ClO3.C9H10O3/c1-5-3-6(10)4-7(8(5)11)9(12)13-2;1-6-4-3-5-7(8(6)10)9(11)12-2/h3-4,11H,1-2H3;3-5,10H,1-2H3
InChIKeyRUSSBFGFDJYPSY-UHFFFAOYSA-N
XLogP3.63
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate 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

methyl 3-bromo-5-chloro-2-hydroxybenzoate
CID 53419622
[1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate
CID 16572923
(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840599
methyl 3-chloro-2-hydroxy-4-methylbenzoate
CID 131421304
(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965
methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate
CID 134623804
(2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2578182
methyl 5-chlorosulfonyl-2-hydroxy-3-methylbenzoate
CID 87968213
(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 894592
methyl 3-methyl-2-[2-(3-phenylphenyl)phenyl]benzoate
CID 154647076
dimethyl 3-methylbenzene-1,2-dicarboxylate;ethane
CID 144706370
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 137138457

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate?
The IUPAC name of methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate (CID 160734201) is methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate?
The canonical SMILES for methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate is COC(=O)c1cc(Cl)cc(C)c1O.COC(=O)c1cccc(C)c1O.
What is the InChIKey of methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate?
The InChIKey is RUSSBFGFDJYPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3.C9H10O3/c1-5-3-6(10)4-7(8(5)11)9(12)13-2;1-6-4-3-5-7(8(6)10)9(11)12-2/h3-4,11H,1-2H3;3-5,10H,1-2H3.
What are the key properties of methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate?
methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate has a molecular weight of 366.80 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 160734201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).