propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate

C13H18O4 — CID 82553050

IUPACpropan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate
SMILESCC(C)OC(=O)c1cc(OC(C)C)ccc1O
InChIInChI=1S/C13H18O4/c1-8(2)16-10-5-6-12(14)11(7-10)13(15)17-9(3)4/h5-9,14H,1-4H3
InChIKeyDTBGCFFRRVTBDU-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.74
Rot. Bonds4

About propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate

propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate (PubChem CID 82553050) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate
PubChem CID82553050
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namepropan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate
SMILESCC(C)OC(=O)c1cc(OC(C)C)ccc1O
InChIInChI=1S/C13H18O4/c1-8(2)16-10-5-6-12(14)11(7-10)13(15)17-9(3)4/h5-9,14H,1-4H3
InChIKeyDTBGCFFRRVTBDU-UHFFFAOYSA-N
XLogP2.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60731005
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CID 82552007
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CID 12008335
methyl (E)-4-(2-hydroxy-5-propan-2-yloxyphenyl)-4-oxobut-2-enoate
CID 82553044
dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate
CID 21191991
propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate
CID 139223343
2,5-di(propan-2-yloxy)phenol
CID 57426094
methyl 2-amino-5-propan-2-yloxybenzoate
CID 13052308
2-nitro-4-propan-2-yloxyphenol
CID 11820026
1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one
CID 82267817
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
CID 7429908
propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate
CID 90322649

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate?
The IUPAC name of propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate (CID 82553050) is propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate.
What is the SMILES notation for propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate?
The canonical SMILES for propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate is CC(C)OC(=O)c1cc(OC(C)C)ccc1O.
What is the InChIKey of propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate?
The InChIKey is DTBGCFFRRVTBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-8(2)16-10-5-6-12(14)11(7-10)13(15)17-9(3)4/h5-9,14H,1-4H3.
What are the key properties of propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate?
propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate has a molecular weight of 238.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate is sourced from PubChem (CID 82553050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).