3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid

C15H12Cl2O4 — CID 10404151

IUPAC3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid
SMILESCc1cc(COc2cccc(Cl)c2Cl)c(O)c(C(=O)O)c1
InChIInChI=1S/C15H12Cl2O4/c1-8-5-9(14(18)10(6-8)15(19)20)7-21-12-4-2-3-11(16)13(12)17/h2-6,18H,7H2,1H3,(H,19,20)
InChIKeyWQIGKPYEHHFFRM-UHFFFAOYSA-N
MW327.16 g/mol
LogP4.28
Rot. Bonds4

About 3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid

3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid (PubChem CID 10404151) has the molecular formula C15H12Cl2O4 and a molecular weight of 327.16 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid
PubChem CID10404151
Molecular FormulaC15H12Cl2O4
Molecular Weight327.16 g/mol
Exact Mass326.01
IUPAC Name3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid
SMILESCc1cc(COc2cccc(Cl)c2Cl)c(O)c(C(=O)O)c1
InChIInChI=1S/C15H12Cl2O4/c1-8-5-9(14(18)10(6-8)15(19)20)7-21-12-4-2-3-11(16)13(12)17/h2-6,18H,7H2,1H3,(H,19,20)
InChIKeyWQIGKPYEHHFFRM-UHFFFAOYSA-N
XLogP4.28
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-methyl-3-[[3-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 11723882
3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 115955919
2-hydroxy-5-methyl-3-(propan-2-yloxymethyl)benzoic acid
CID 20826059
2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid
CID 117221100
2-[2-(2,3-dichlorophenoxy)ethylamino]-3-methylbenzoic acid
CID 18803400
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
CID 106861515
5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
CID 25109956
2-(2,3-dichlorophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7787801
3-[[3-(1-benzofuran-2-yl)phenoxy]methyl]-2-hydroxy-5-methylbenzoic acid
CID 10044925
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene
CID 107310416

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid?
The IUPAC name of 3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid (CID 10404151) is 3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid.
What is the SMILES notation for 3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid?
The canonical SMILES for 3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid is Cc1cc(COc2cccc(Cl)c2Cl)c(O)c(C(=O)O)c1.
What is the InChIKey of 3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid?
The InChIKey is WQIGKPYEHHFFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O4/c1-8-5-9(14(18)10(6-8)15(19)20)7-21-12-4-2-3-11(16)13(12)17/h2-6,18H,7H2,1H3,(H,19,20).
What are the key properties of 3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid?
3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid has a molecular weight of 327.16 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid is sourced from PubChem (CID 10404151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).