3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid

C21H16Cl2O3 — CID 139758970

IUPAC3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(Cc2ccccc2Cl)cc(Cc2ccccc2Cl)c1O
InChIInChI=1S/C21H16Cl2O3/c22-18-7-3-1-5-14(18)9-13-10-16(20(24)17(11-13)21(25)26)12-15-6-2-4-8-19(15)23/h1-8,10-11,24H,9,12H2,(H,25,26)
InChIKeyQAIJSRQERBCWII-UHFFFAOYSA-N
MW387.26 g/mol
LogP5.58
Rot. Bonds5

About 3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid

3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid (PubChem CID 139758970) has the molecular formula C21H16Cl2O3 and a molecular weight of 387.26 g/mol. Its IUPAC name is 3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid
PubChem CID139758970
Molecular FormulaC21H16Cl2O3
Molecular Weight387.26 g/mol
Exact Mass386.05
IUPAC Name3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(Cc2ccccc2Cl)cc(Cc2ccccc2Cl)c1O
InChIInChI=1S/C21H16Cl2O3/c22-18-7-3-1-5-14(18)9-13-10-16(20(24)17(11-13)21(25)26)12-15-6-2-4-8-19(15)23/h1-8,10-11,24H,9,12H2,(H,25,26)
InChIKeyQAIJSRQERBCWII-UHFFFAOYSA-N
XLogP5.58
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.26
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate
CID 145376874
5-benzyl-2,3,4-trihydroxybenzoic acid
CID 175212254
4-[(2-chlorophenyl)methyl]benzene-1,2-diol
CID 44634400
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
3-benzyl-5-[bis(4-propan-2-ylphenyl)methyl]-2-hydroxybenzoic acid
CID 139751253
bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone
CID 123134509
3-[(2,3-dichlorophenoxy)methyl]-2-hydroxy-5-methylbenzoic acid
CID 10404151
4-benzyl-2-chlorobenzoic acid
CID 150746352
2-amino-3-[(2-chlorophenyl)methyl]phenol
CID 105493756
2-hydroxy-3,5-bis(iodomethyl)benzoic acid
CID 70352760
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid
CID 117221100

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid?
The IUPAC name of 3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid (CID 139758970) is 3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid?
The canonical SMILES for 3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid is O=C(O)c1cc(Cc2ccccc2Cl)cc(Cc2ccccc2Cl)c1O.
What is the InChIKey of 3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid?
The InChIKey is QAIJSRQERBCWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2O3/c22-18-7-3-1-5-14(18)9-13-10-16(20(24)17(11-13)21(25)26)12-15-6-2-4-8-19(15)23/h1-8,10-11,24H,9,12H2,(H,25,26).
What are the key properties of 3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid?
3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid has a molecular weight of 387.26 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 139758970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).