1,3-dihydroxypropan-2-yl 2-hydroxybenzoate

C10H12O5 — CID 23654554

IUPAC1,3-dihydroxypropan-2-yl 2-hydroxybenzoate
SMILESO=C(OC(CO)CO)c1ccccc1O
InChIInChI=1S/C10H12O5/c11-5-7(6-12)15-10(14)8-3-1-2-4-9(8)13/h1-4,7,11-13H,5-6H2
InChIKeyYABLUKUALMMFEI-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.10
Rot. Bonds4

About 1,3-dihydroxypropan-2-yl 2-hydroxybenzoate

1,3-dihydroxypropan-2-yl 2-hydroxybenzoate (PubChem CID 23654554) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 1,3-dihydroxypropan-2-yl 2-hydroxybenzoate.

Molecular Properties

Compound Name1,3-dihydroxypropan-2-yl 2-hydroxybenzoate
PubChem CID23654554
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name1,3-dihydroxypropan-2-yl 2-hydroxybenzoate
SMILESO=C(OC(CO)CO)c1ccccc1O
InChIInChI=1S/C10H12O5/c11-5-7(6-12)15-10(14)8-3-1-2-4-9(8)13/h1-4,7,11-13H,5-6H2
InChIKeyYABLUKUALMMFEI-UHFFFAOYSA-N
XLogP-0.10
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dihydroxypropan-2-yl 2-aminobenzoate
CID 67638206
(2-amino-1-sulfanylethyl) 2-hydroxybenzoate
CID 140650856
[(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate
CID 7890575
1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate
CID 71068223
1-phenylpropan-2-yl 2-hydroxybenzoate
CID 139897029
(2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate
CID 141348519
1-phenylpropyl 2-hydroxybenzoate
CID 101286985
pent-1-en-3-yl 2-hydroxybenzoate
CID 11701252
iodomethyl 2-hydroxybenzenecarboperoxoate
CID 158310141
amino 2-hydroxybenzoate
CID 12598418
1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate
CID 171485491
1,3-dimethoxypropan-2-yl 2-methylbenzoate
CID 141353535

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypropan-2-yl 2-hydroxybenzoate?
The IUPAC name of 1,3-dihydroxypropan-2-yl 2-hydroxybenzoate (CID 23654554) is 1,3-dihydroxypropan-2-yl 2-hydroxybenzoate.
What is the SMILES notation for 1,3-dihydroxypropan-2-yl 2-hydroxybenzoate?
The canonical SMILES for 1,3-dihydroxypropan-2-yl 2-hydroxybenzoate is O=C(OC(CO)CO)c1ccccc1O.
What is the InChIKey of 1,3-dihydroxypropan-2-yl 2-hydroxybenzoate?
The InChIKey is YABLUKUALMMFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c11-5-7(6-12)15-10(14)8-3-1-2-4-9(8)13/h1-4,7,11-13H,5-6H2.
What are the key properties of 1,3-dihydroxypropan-2-yl 2-hydroxybenzoate?
1,3-dihydroxypropan-2-yl 2-hydroxybenzoate has a molecular weight of 212.20 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypropan-2-yl 2-hydroxybenzoate is sourced from PubChem (CID 23654554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).