4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid

C14H11ClO4 — CID 91679064

IUPAC4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(OCc2ccccc2Cl)cc1O
InChIInChI=1S/C14H11ClO4/c15-12-4-2-1-3-9(12)8-19-10-5-6-11(14(17)18)13(16)7-10/h1-7,16H,8H2,(H,17,18)
InChIKeySRXPPXSBTHLVPW-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.32
Rot. Bonds4

About 4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid

4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid (PubChem CID 91679064) has the molecular formula C14H11ClO4 and a molecular weight of 278.69 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
PubChem CID91679064
Molecular FormulaC14H11ClO4
Molecular Weight278.69 g/mol
Exact Mass278.03
IUPAC Name4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(OCc2ccccc2Cl)cc1O
InChIInChI=1S/C14H11ClO4/c15-12-4-2-1-3-9(12)8-19-10-5-6-11(14(17)18)13(16)7-10/h1-7,16H,8H2,(H,17,18)
InChIKeySRXPPXSBTHLVPW-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

4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91682681
4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid
CID 88611134
2,5-bis[(2-chlorophenyl)methoxy]phenol
CID 139941911
1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 106500788
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857045
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
1,2,4-tris[(2-chlorophenyl)methoxy]benzene
CID 139941968

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid (CID 91679064) is 4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid is O=C(O)c1ccc(OCc2ccccc2Cl)cc1O.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid?
The InChIKey is SRXPPXSBTHLVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO4/c15-12-4-2-1-3-9(12)8-19-10-5-6-11(14(17)18)13(16)7-10/h1-7,16H,8H2,(H,17,18).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid?
4-[(2-chlorophenyl)methoxy]-2-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 4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid is sourced from PubChem (CID 91679064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).