2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate

C21H26O6 — CID 70155942

IUPAC2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate
SMILESCC(C)COC(=O)c1ccc(O)cc1.CC(C)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H14O3.C10H12O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9;1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-6,8,12H,7H2,1-2H3;3-7,11H,1-2H3
InChIKeyDNQCSOQXLIJGFI-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.16
Rot. Bonds5

About 2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate

2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate (PubChem CID 70155942) has the molecular formula C21H26O6 and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate
PubChem CID70155942
Molecular FormulaC21H26O6
Molecular Weight374.43 g/mol
Exact Mass374.17
IUPAC Name2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate
SMILESCC(C)COC(=O)c1ccc(O)cc1.CC(C)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H14O3.C10H12O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9;1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-6,8,12H,7H2,1-2H3;3-7,11H,1-2H3
InChIKeyDNQCSOQXLIJGFI-UHFFFAOYSA-N
XLogP4.16
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxybenzoic acid;2-methylpropyl 4-hydroxybenzoate
CID 159405948
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
2-methylpropyl 4-aminobenzoate
CID 23616374
2,6-dimethylheptyl 4-hydroxybenzoate
CID 15176802
2-methylpropyl 4-(113C)methylidyneazaniumylbenzoate
CID 101210960
2-methylpropyl 4-(hydroxymethyl)benzoate
CID 150293038
cesium 4-(2-methylpropoxycarbonyl)benzoate
CID 175246197
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
4-hydroxy-2-(2-methylpropyl)benzoic acid;2-methylpropyl 4-hydroxybenzoate
CID 159650836
2-[3-methyl-2-(methylamino)butanoyl]oxypropyl 4-hydroxybenzoate
CID 176672882
2-propan-2-yloxyethyl 4-hydroxybenzoate
CID 71749586

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate?
The IUPAC name of 2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate (CID 70155942) is 2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate.
What is the SMILES notation for 2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate?
The canonical SMILES for 2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate is CC(C)COC(=O)c1ccc(O)cc1.CC(C)OC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate?
The InChIKey is DNQCSOQXLIJGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.C10H12O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9;1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-6,8,12H,7H2,1-2H3;3-7,11H,1-2H3.
What are the key properties of 2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate?
2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate has a molecular weight of 374.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate is sourced from PubChem (CID 70155942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).