2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid

C14H11ClO4 — CID 117221100

IUPAC2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1COc1ccccc1Cl
InChIInChI=1S/C14H11ClO4/c15-12-3-1-2-4-13(12)19-8-9-5-6-10(16)7-11(9)14(17)18/h1-7,16H,8H2,(H,17,18)
InChIKeyVTJKBNFEERLJSB-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.32
Rot. Bonds4

About 2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid

2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid (PubChem CID 117221100) has the molecular formula C14H11ClO4 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid
PubChem CID117221100
Molecular FormulaC14H11ClO4
Molecular Weight278.69 g/mol
Exact Mass278.03
IUPAC Name2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1COc1ccccc1Cl
InChIInChI=1S/C14H11ClO4/c15-12-3-1-2-4-13(12)19-8-9-5-6-10(16)7-11(9)14(17)18/h1-7,16H,8H2,(H,17,18)
InChIKeyVTJKBNFEERLJSB-UHFFFAOYSA-N
XLogP3.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid
CID 117221103
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid
CID 4894470
5-chloro-2-[(2-chlorophenoxy)methyl]phenol
CID 117221050
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
3-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117171560
5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 63679246
3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid
CID 10404151
2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221035
2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117173534
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid (CID 117221100) is 2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid is O=C(O)c1cc(O)ccc1COc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid?
The InChIKey is VTJKBNFEERLJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO4/c15-12-3-1-2-4-13(12)19-8-9-5-6-10(16)7-11(9)14(17)18/h1-7,16H,8H2,(H,17,18).
What are the key properties of 2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid?
2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid has a molecular weight of 278.69 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid is sourced from PubChem (CID 117221100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).