2-phenylethyl 2-hydroxy-3-methylbenzoate

C16H16O3 — CID 15349136

IUPAC2-phenylethyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCCc2ccccc2)c1O
InChIInChI=1S/C16H16O3/c1-12-6-5-9-14(15(12)17)16(18)19-11-10-13-7-3-2-4-8-13/h2-9,17H,10-11H2,1H3
InChIKeyYSLGNRMONFGAMI-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.10
Rot. Bonds4

About 2-phenylethyl 2-hydroxy-3-methylbenzoate

2-phenylethyl 2-hydroxy-3-methylbenzoate (PubChem CID 15349136) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-phenylethyl 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name2-phenylethyl 2-hydroxy-3-methylbenzoate
PubChem CID15349136
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-phenylethyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCCc2ccccc2)c1O
InChIInChI=1S/C16H16O3/c1-12-6-5-9-14(15(12)17)16(18)19-11-10-13-7-3-2-4-8-13/h2-9,17H,10-11H2,1H3
InChIKeyYSLGNRMONFGAMI-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate
CID 158104878
2-O-(2,2-dimethylpropyl) 1-O-(2-phenylethyl) benzene-1,2-dicarboxylate
CID 6421945
(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840399
[3-(2-phenylethoxycarbonyl)phenyl] 2-methylbenzoate
CID 17162216
2-phenylethyl 2-acetamidobenzoate
CID 150228635
(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840599
2-phenylethyl 2-formylbenzoate
CID 10587030
(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965
2-phenylethyl 2-butoxybenzoate
CID 141306389
(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
CID 7416144
2-phenylethyl 3-methyl-1H-pyrrole-2-carboxylate
CID 150266858
(4-methylsulfanylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2578471

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-hydroxy-3-methylbenzoate?
The IUPAC name of 2-phenylethyl 2-hydroxy-3-methylbenzoate (CID 15349136) is 2-phenylethyl 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for 2-phenylethyl 2-hydroxy-3-methylbenzoate?
The canonical SMILES for 2-phenylethyl 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCCc2ccccc2)c1O.
What is the InChIKey of 2-phenylethyl 2-hydroxy-3-methylbenzoate?
The InChIKey is YSLGNRMONFGAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-6-5-9-14(15(12)17)16(18)19-11-10-13-7-3-2-4-8-13/h2-9,17H,10-11H2,1H3.
What are the key properties of 2-phenylethyl 2-hydroxy-3-methylbenzoate?
2-phenylethyl 2-hydroxy-3-methylbenzoate has a molecular weight of 256.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 15349136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).