tert-butyl 2,3-dichloro-4-hydroxybenzoate

C11H12Cl2O3 — CID 69417819

IUPACtert-butyl 2,3-dichloro-4-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C11H12Cl2O3/c1-11(2,3)16-10(15)6-4-5-7(14)9(13)8(6)12/h4-5,14H,1-3H3
InChIKeyUHHOXIFKTREVHZ-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.65
Rot. Bonds1

About tert-butyl 2,3-dichloro-4-hydroxybenzoate

tert-butyl 2,3-dichloro-4-hydroxybenzoate (PubChem CID 69417819) has the molecular formula C11H12Cl2O3 and a molecular weight of 263.12 g/mol. Its IUPAC name is tert-butyl 2,3-dichloro-4-hydroxybenzoate.

Molecular Properties

Compound Nametert-butyl 2,3-dichloro-4-hydroxybenzoate
PubChem CID69417819
Molecular FormulaC11H12Cl2O3
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Nametert-butyl 2,3-dichloro-4-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C11H12Cl2O3/c1-11(2,3)16-10(15)6-4-5-7(14)9(13)8(6)12/h4-5,14H,1-3H3
InChIKeyUHHOXIFKTREVHZ-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 71111006
CID 71111006
tert-butyl 2-hydroxybenzoate;cobalt
CID 70348779
tert-butyl 2,4-dichloro-3-nitrobenzoate
CID 177149352
tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-2,3-dichlorobenzoyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 66808714
5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 53423671
[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
CID 121000540
tert-butyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 166524788
tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
CID 137357211
tert-butyl 6-chloro-2-ethylpyridine-3-carboxylate
CID 166815331
tert-butyl 2-bromo-5-chlorobenzoate
CID 59447603
tert-butyl 3-chloronaphthalene-2-carboxylate
CID 133063668
tert-butyl 3-chloro-2-iodobenzoate
CID 135393983

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3-dichloro-4-hydroxybenzoate?
The IUPAC name of tert-butyl 2,3-dichloro-4-hydroxybenzoate (CID 69417819) is tert-butyl 2,3-dichloro-4-hydroxybenzoate.
What is the SMILES notation for tert-butyl 2,3-dichloro-4-hydroxybenzoate?
The canonical SMILES for tert-butyl 2,3-dichloro-4-hydroxybenzoate is CC(C)(C)OC(=O)c1ccc(O)c(Cl)c1Cl.
What is the InChIKey of tert-butyl 2,3-dichloro-4-hydroxybenzoate?
The InChIKey is UHHOXIFKTREVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3/c1-11(2,3)16-10(15)6-4-5-7(14)9(13)8(6)12/h4-5,14H,1-3H3.
What are the key properties of tert-butyl 2,3-dichloro-4-hydroxybenzoate?
tert-butyl 2,3-dichloro-4-hydroxybenzoate has a molecular weight of 263.12 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3-dichloro-4-hydroxybenzoate is sourced from PubChem (CID 69417819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).