propan-2-yl 3-chloro-4-hydroxybenzoate

C10H11ClO3 — CID 60643108

IUPACpropan-2-yl 3-chloro-4-hydroxybenzoate
SMILESCC(C)OC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-6(2)14-10(13)7-3-4-9(12)8(11)5-7/h3-6,12H,1-2H3
InChIKeyAJWAVGMLXDXHTC-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.61
Rot. Bonds2

About propan-2-yl 3-chloro-4-hydroxybenzoate

propan-2-yl 3-chloro-4-hydroxybenzoate (PubChem CID 60643108) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is propan-2-yl 3-chloro-4-hydroxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 3-chloro-4-hydroxybenzoate
PubChem CID60643108
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Namepropan-2-yl 3-chloro-4-hydroxybenzoate
SMILESCC(C)OC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-6(2)14-10(13)7-3-4-9(12)8(11)5-7/h3-6,12H,1-2H3
InChIKeyAJWAVGMLXDXHTC-UHFFFAOYSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-amino-4-chlorobenzoate;hydrochloride
CID 132648281
propan-2-yl 4-chloro-3-sulfamoylbenzoate
CID 46638407
propan-2-yl 4-fluoro-3-hydroxybenzoate
CID 146035224
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
propan-2-yl 3-chloro-4-(5-formylfuran-2-yl)benzoate
CID 94675113
3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate
CID 139915014
propan-2-yl 4-carbonochloridoylbenzoate
CID 91331513
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
propan-2-yl 3,5-dichlorobenzoate
CID 60642653
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate
CID 21191991
methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
CID 60654193

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-chloro-4-hydroxybenzoate?
The IUPAC name of propan-2-yl 3-chloro-4-hydroxybenzoate (CID 60643108) is propan-2-yl 3-chloro-4-hydroxybenzoate.
What is the SMILES notation for propan-2-yl 3-chloro-4-hydroxybenzoate?
The canonical SMILES for propan-2-yl 3-chloro-4-hydroxybenzoate is CC(C)OC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of propan-2-yl 3-chloro-4-hydroxybenzoate?
The InChIKey is AJWAVGMLXDXHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6(2)14-10(13)7-3-4-9(12)8(11)5-7/h3-6,12H,1-2H3.
What are the key properties of propan-2-yl 3-chloro-4-hydroxybenzoate?
propan-2-yl 3-chloro-4-hydroxybenzoate has a molecular weight of 214.65 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-chloro-4-hydroxybenzoate is sourced from PubChem (CID 60643108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).