methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate

C14H10Cl2O3 — CID 146243627

IUPACmethyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate
SMILESCOC(=O)c1cc(O)cc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H10Cl2O3/c1-19-14(18)10-2-8(5-13(17)6-10)9-3-11(15)7-12(16)4-9/h2-7,17H,1H3
InChIKeyYMNPNAPFQCAWJO-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.15
Rot. Bonds2

About methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate

methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate (PubChem CID 146243627) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate
PubChem CID146243627
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Namemethyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate
SMILESCOC(=O)c1cc(O)cc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H10Cl2O3/c1-19-14(18)10-2-8(5-13(17)6-10)9-3-11(15)7-12(16)4-9/h2-7,17H,1H3
InChIKeyYMNPNAPFQCAWJO-UHFFFAOYSA-N
XLogP4.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate
CID 75488427
methyl 3-chloro-5-(4-methoxycarbonylphenyl)benzoate
CID 75488137
4-[4-(3-hydroxy-5-methoxycarbonylphenyl)phenyl]benzoic acid
CID 167869556
methyl 3-carbonochloridoyl-5-hydroxybenzoate
CID 45081214
methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate
CID 53221429
methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate
CID 75488397
bromoethane;dimethyl 5-hydroxybenzene-1,3-dicarboxylate
CID 175420883
methyl 3-hydroxy-5-sulfanylbenzoate
CID 21364998
methyl 3-acetyl-5-chlorobenzoate
CID 69166843
methyl 3-(3-hydroxy-5-methoxycarbonylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 56973175
lithium;dimethyl 5-hydroxybenzene-1,3-dicarboxylate;5-hydroxybenzene-1,3-dicarboxylic acid;hydroxide
CID 157422801
methyl 3-(3-chloro-5-fluorophenyl)-5-nitrobenzoate
CID 75488454

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate?
The IUPAC name of methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate (CID 146243627) is methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate.
What is the SMILES notation for methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate?
The canonical SMILES for methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate is COC(=O)c1cc(O)cc(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate?
The InChIKey is YMNPNAPFQCAWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c1-19-14(18)10-2-8(5-13(17)6-10)9-3-11(15)7-12(16)4-9/h2-7,17H,1H3.
What are the key properties of methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate?
methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate has a molecular weight of 297.14 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate is sourced from PubChem (CID 146243627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).