methyl 3-benzyl-2-hydroxy-5-methylbenzoate

C16H16O3 — CID 11858624

IUPACmethyl 3-benzyl-2-hydroxy-5-methylbenzoate
SMILESCOC(=O)c1cc(C)cc(Cc2ccccc2)c1O
InChIInChI=1S/C16H16O3/c1-11-8-13(10-12-6-4-3-5-7-12)15(17)14(9-11)16(18)19-2/h3-9,17H,10H2,1-2H3
InChIKeyOZMQHIDSBFIIKA-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.08
Rot. Bonds3

About methyl 3-benzyl-2-hydroxy-5-methylbenzoate

methyl 3-benzyl-2-hydroxy-5-methylbenzoate (PubChem CID 11858624) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 3-benzyl-2-hydroxy-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-benzyl-2-hydroxy-5-methylbenzoate
PubChem CID11858624
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namemethyl 3-benzyl-2-hydroxy-5-methylbenzoate
SMILESCOC(=O)c1cc(C)cc(Cc2ccccc2)c1O
InChIInChI=1S/C16H16O3/c1-11-8-13(10-12-6-4-3-5-7-12)15(17)14(9-11)16(18)19-2/h3-9,17H,10H2,1-2H3
InChIKeyOZMQHIDSBFIIKA-UHFFFAOYSA-N
XLogP3.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-hydroxy-3-[(2-hydroxy-3-methoxycarbonyl-5-methylphenyl)methyl]-5-methylbenzoate
CID 1211689
methyl 2-benzyl-4-methoxybenzoate
CID 166447478
methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate
CID 145376874
2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 20743757
methyl 5-amino-3-[(5-amino-2-hydroxy-3-methoxycarbonylphenyl)methyl]-2-hydroxybenzoate
CID 25230852
methyl 2-hydroxy-3-(3-phenylpropyl)benzoate
CID 16754223
2-[(4-methoxycarbonylphenyl)methyl]-4-methylbenzoic acid
CID 20510711
5-benzyl-2,3,4-trihydroxybenzoic acid
CID 175212254
methyl 5-[3-benzyl-4-[(4-methylphenyl)sulfonylamino]phenoxy]-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 59566236
benzyl 2-hydroxy-5-methyl-3-phenylbenzoate
CID 59014793
methyl 2-(2-phenylethyl)benzoate
CID 59701000
methyl 3-ethyl-2-methoxy-5-methylbenzoate
CID 20687255

Frequently Asked Questions

What is the IUPAC name of methyl 3-benzyl-2-hydroxy-5-methylbenzoate?
The IUPAC name of methyl 3-benzyl-2-hydroxy-5-methylbenzoate (CID 11858624) is methyl 3-benzyl-2-hydroxy-5-methylbenzoate.
What is the SMILES notation for methyl 3-benzyl-2-hydroxy-5-methylbenzoate?
The canonical SMILES for methyl 3-benzyl-2-hydroxy-5-methylbenzoate is COC(=O)c1cc(C)cc(Cc2ccccc2)c1O.
What is the InChIKey of methyl 3-benzyl-2-hydroxy-5-methylbenzoate?
The InChIKey is OZMQHIDSBFIIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-8-13(10-12-6-4-3-5-7-12)15(17)14(9-11)16(18)19-2/h3-9,17H,10H2,1-2H3.
What are the key properties of methyl 3-benzyl-2-hydroxy-5-methylbenzoate?
methyl 3-benzyl-2-hydroxy-5-methylbenzoate has a molecular weight of 256.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzyl-2-hydroxy-5-methylbenzoate is sourced from PubChem (CID 11858624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).