1-phenylpropan-2-yl 2-hydroxybenzoate

C16H16O3 — CID 139897029

IUPAC1-phenylpropan-2-yl 2-hydroxybenzoate
SMILESCC(Cc1ccccc1)OC(=O)c1ccccc1O
InChIInChI=1S/C16H16O3/c1-12(11-13-7-3-2-4-8-13)19-16(18)14-9-5-6-10-15(14)17/h2-10,12,17H,11H2,1H3
InChIKeyGBGWGDNBWXVDDJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.18
Rot. Bonds4

About 1-phenylpropan-2-yl 2-hydroxybenzoate

1-phenylpropan-2-yl 2-hydroxybenzoate (PubChem CID 139897029) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-phenylpropan-2-yl 2-hydroxybenzoate.

Molecular Properties

Compound Name1-phenylpropan-2-yl 2-hydroxybenzoate
PubChem CID139897029
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-phenylpropan-2-yl 2-hydroxybenzoate
SMILESCC(Cc1ccccc1)OC(=O)c1ccccc1O
InChIInChI=1S/C16H16O3/c1-12(11-13-7-3-2-4-8-13)19-16(18)14-9-5-6-10-15(14)17/h2-10,12,17H,11H2,1H3
InChIKeyGBGWGDNBWXVDDJ-UHFFFAOYSA-N
XLogP3.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1,3-dihydroxypropan-2-yl 2-hydroxybenzoate
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1-phenylpropan-2-yl 2-methylprop-2-enoate
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(1-amino-2-phenylpropyl) 2-hydroxybenzoate
CID 175312215
3-oxo-3-(1-phenylpropan-2-yloxy)propanoate
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[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-hydroxybenzoate
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[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
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Frequently Asked Questions

What is the IUPAC name of 1-phenylpropan-2-yl 2-hydroxybenzoate?
The IUPAC name of 1-phenylpropan-2-yl 2-hydroxybenzoate (CID 139897029) is 1-phenylpropan-2-yl 2-hydroxybenzoate.
What is the SMILES notation for 1-phenylpropan-2-yl 2-hydroxybenzoate?
The canonical SMILES for 1-phenylpropan-2-yl 2-hydroxybenzoate is CC(Cc1ccccc1)OC(=O)c1ccccc1O.
What is the InChIKey of 1-phenylpropan-2-yl 2-hydroxybenzoate?
The InChIKey is GBGWGDNBWXVDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12(11-13-7-3-2-4-8-13)19-16(18)14-9-5-6-10-15(14)17/h2-10,12,17H,11H2,1H3.
What are the key properties of 1-phenylpropan-2-yl 2-hydroxybenzoate?
1-phenylpropan-2-yl 2-hydroxybenzoate has a molecular weight of 256.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropan-2-yl 2-hydroxybenzoate is sourced from PubChem (CID 139897029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).