dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate

C14H18O5 — CID 170871811

IUPACdimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(C(C)(C)C)cc(C(=O)OC)c1O
InChIInChI=1S/C14H18O5/c1-14(2,3)8-6-9(12(16)18-4)11(15)10(7-8)13(17)19-5/h6-7,15H,1-5H3
InChIKeyMOZPDCOFQADRID-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.26
Rot. Bonds2

About dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate

dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate (PubChem CID 170871811) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate
PubChem CID170871811
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namedimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(C(C)(C)C)cc(C(=O)OC)c1O
InChIInChI=1S/C14H18O5/c1-14(2,3)8-6-9(12(16)18-4)11(15)10(7-8)13(17)19-5/h6-7,15H,1-5H3
InChIKeyMOZPDCOFQADRID-UHFFFAOYSA-N
XLogP2.26
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate
CID 117328495
5-tert-butyl-2-iodo-3-methoxycarbonylbenzoic acid
CID 154728027
1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone
CID 71295421
dimethyl 2,5-ditert-butylbenzene-1,4-dicarboxylate
CID 11833728
methyl 2,4,6-tritert-butylbenzoate
CID 5059268
methyl 3-tert-butyl-2-hydroxy-5-nitrobenzoate
CID 11097093
3-O-tert-butyl 1-O-methyl 2-hydroxybenzene-1,3-dicarboxylate
CID 174913311
methyl 2-amino-4-tert-butylbenzoate
CID 45089764
3,5-ditert-butylbenzoic acid;methyl 3,5-ditert-butylbenzoate
CID 161481507
methyl 5-tert-butyl-3-oxo-2,1-benzoxaselenole-7-carboxylate
CID 102043584
methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate
CID 21184995
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate (CID 170871811) is dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate is COC(=O)c1cc(C(C)(C)C)cc(C(=O)OC)c1O.
What is the InChIKey of dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate?
The InChIKey is MOZPDCOFQADRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-14(2,3)8-6-9(12(16)18-4)11(15)10(7-8)13(17)19-5/h6-7,15H,1-5H3.
What are the key properties of dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate?
dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate has a molecular weight of 266.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 170871811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).