methyl 2-hydroxy-3-(3-phenylpropyl)benzoate

C17H18O3 — CID 16754223

IUPACmethyl 2-hydroxy-3-(3-phenylpropyl)benzoate
SMILESCOC(=O)c1cccc(CCCc2ccccc2)c1O
InChIInChI=1S/C17H18O3/c1-20-17(19)15-12-6-11-14(16(15)18)10-5-9-13-7-3-2-4-8-13/h2-4,6-8,11-12,18H,5,9-10H2,1H3
InChIKeyFOODPVFPWCUYNZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.35
Rot. Bonds5

About methyl 2-hydroxy-3-(3-phenylpropyl)benzoate

methyl 2-hydroxy-3-(3-phenylpropyl)benzoate (PubChem CID 16754223) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(3-phenylpropyl)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(3-phenylpropyl)benzoate
PubChem CID16754223
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namemethyl 2-hydroxy-3-(3-phenylpropyl)benzoate
SMILESCOC(=O)c1cccc(CCCc2ccccc2)c1O
InChIInChI=1S/C17H18O3/c1-20-17(19)15-12-6-11-14(16(15)18)10-5-9-13-7-3-2-4-8-13/h2-4,6-8,11-12,18H,5,9-10H2,1H3
InChIKeyFOODPVFPWCUYNZ-UHFFFAOYSA-N
XLogP3.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-phenylethyl)benzoate
CID 59701000
methyl 2-hydroxy-3-(hydroxymethyl)benzoate
CID 54246985
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
methyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate
CID 18973824
methyl 2-hydroxy-3-(2-methylpropyl)benzoate
CID 16754220
methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate
CID 169094954
2-[3-(4-ethylphenyl)propyl]benzoic acid
CID 54190644
3-butyl-2-hydroxybenzoic acid
CID 18681512
2-[2-(3-phenylpropyl)phenyl]acetic acid
CID 23284627
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
methyl 3-benzyl-2-hydroxy-5-methylbenzoate
CID 11858624
(2-hexylphenyl) 3-hexyl-2-hydroxybenzoate
CID 54026467

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(3-phenylpropyl)benzoate?
The IUPAC name of methyl 2-hydroxy-3-(3-phenylpropyl)benzoate (CID 16754223) is methyl 2-hydroxy-3-(3-phenylpropyl)benzoate.
What is the SMILES notation for methyl 2-hydroxy-3-(3-phenylpropyl)benzoate?
The canonical SMILES for methyl 2-hydroxy-3-(3-phenylpropyl)benzoate is COC(=O)c1cccc(CCCc2ccccc2)c1O.
What is the InChIKey of methyl 2-hydroxy-3-(3-phenylpropyl)benzoate?
The InChIKey is FOODPVFPWCUYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-20-17(19)15-12-6-11-14(16(15)18)10-5-9-13-7-3-2-4-8-13/h2-4,6-8,11-12,18H,5,9-10H2,1H3.
What are the key properties of methyl 2-hydroxy-3-(3-phenylpropyl)benzoate?
methyl 2-hydroxy-3-(3-phenylpropyl)benzoate has a molecular weight of 270.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(3-phenylpropyl)benzoate is sourced from PubChem (CID 16754223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).