propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate

C17H16O5 — CID 12008335

IUPACpropan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate
SMILESCC(C)OC(=O)c1cc(C(=O)c2ccccc2O)ccc1O
InChIInChI=1S/C17H16O5/c1-10(2)22-17(21)13-9-11(7-8-15(13)19)16(20)12-5-3-4-6-14(12)18/h3-10,18-19H,1-2H3
InChIKeyZJQJIILKQJGENS-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.89
Rot. Bonds4

About propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate

propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate (PubChem CID 12008335) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate
PubChem CID12008335
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Namepropan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate
SMILESCC(C)OC(=O)c1cc(C(=O)c2ccccc2O)ccc1O
InChIInChI=1S/C17H16O5/c1-10(2)22-17(21)13-9-11(7-8-15(13)19)16(20)12-5-3-4-6-14(12)18/h3-10,18-19H,1-2H3
InChIKeyZJQJIILKQJGENS-UHFFFAOYSA-N
XLogP2.89
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate
CID 139223343
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4-(4-carboxy-3-propan-2-yloxycarbonylbenzoyl)-2-propan-2-yloxycarbonylbenzoic acid
CID 54551739
propan-2-yl 2-hydroxy-5-methoxybenzoate
CID 60731005
propan-2-yl 2-(1,3-benzodioxole-5-carbonyl)benzoate
CID 132515396
(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 59116114
dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate
CID 21191991
propan-2-yl 3-chloro-4-hydroxybenzoate
CID 60643108
5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid
CID 151104879
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate
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CID 163585949

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate?
The IUPAC name of propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate (CID 12008335) is propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate.
What is the SMILES notation for propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate?
The canonical SMILES for propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate is CC(C)OC(=O)c1cc(C(=O)c2ccccc2O)ccc1O.
What is the InChIKey of propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate?
The InChIKey is ZJQJIILKQJGENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-10(2)22-17(21)13-9-11(7-8-15(13)19)16(20)12-5-3-4-6-14(12)18/h3-10,18-19H,1-2H3.
What are the key properties of propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate?
propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate has a molecular weight of 300.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate is sourced from PubChem (CID 12008335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).