1-phenylpropyl 2-hydroxybenzoate

C16H16O3 — CID 101286985

IUPAC1-phenylpropyl 2-hydroxybenzoate
SMILESCCC(OC(=O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C16H16O3/c1-2-15(12-8-4-3-5-9-12)19-16(18)13-10-6-7-11-14(13)17/h3-11,15,17H,2H2,1H3
InChIKeyNEEVZOGGNOPOCD-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.70
Rot. Bonds4

About 1-phenylpropyl 2-hydroxybenzoate

1-phenylpropyl 2-hydroxybenzoate (PubChem CID 101286985) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-phenylpropyl 2-hydroxybenzoate.

Molecular Properties

Compound Name1-phenylpropyl 2-hydroxybenzoate
PubChem CID101286985
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-phenylpropyl 2-hydroxybenzoate
SMILESCCC(OC(=O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C16H16O3/c1-2-15(12-8-4-3-5-9-12)19-16(18)13-10-6-7-11-14(13)17/h3-11,15,17H,2H2,1H3
InChIKeyNEEVZOGGNOPOCD-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-phenylpropyl 2-hydroxyacetate
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tetrakis(1-phenylpentyl) benzene-1,2,4,5-tetracarboxylate
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(1-amino-2-phenylpropyl) 2-hydroxybenzoate
CID 175312215
pent-1-en-3-yl 2-hydroxybenzoate
CID 11701252
(tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate
CID 66763828
1-phenylpropan-2-yl 2-hydroxybenzoate
CID 139897029
1-phenylpropyl 2-phenylacetate
CID 59360641
1-phenylpropyl (E)-but-2-enoate
CID 22706710
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-hydroxybenzoate
CID 7797799
acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate
CID 174870580
1,3-dihydroxypropan-2-yl 2-hydroxybenzoate
CID 23654554

Frequently Asked Questions

What is the IUPAC name of 1-phenylpropyl 2-hydroxybenzoate?
The IUPAC name of 1-phenylpropyl 2-hydroxybenzoate (CID 101286985) is 1-phenylpropyl 2-hydroxybenzoate.
What is the SMILES notation for 1-phenylpropyl 2-hydroxybenzoate?
The canonical SMILES for 1-phenylpropyl 2-hydroxybenzoate is CCC(OC(=O)c1ccccc1O)c1ccccc1.
What is the InChIKey of 1-phenylpropyl 2-hydroxybenzoate?
The InChIKey is NEEVZOGGNOPOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-15(12-8-4-3-5-9-12)19-16(18)13-10-6-7-11-14(13)17/h3-11,15,17H,2H2,1H3.
What are the key properties of 1-phenylpropyl 2-hydroxybenzoate?
1-phenylpropyl 2-hydroxybenzoate has a molecular weight of 256.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropyl 2-hydroxybenzoate is sourced from PubChem (CID 101286985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).