benzyl 2-hydroxy-5-methyl-3-phenylbenzoate

C21H18O3 — CID 59014793

IUPACbenzyl 2-hydroxy-5-methyl-3-phenylbenzoate
SMILESCc1cc(C(=O)OCc2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C21H18O3/c1-15-12-18(17-10-6-3-7-11-17)20(22)19(13-15)21(23)24-14-16-8-4-2-5-9-16/h2-13,22H,14H2,1H3
InChIKeyBXLMVIPPIZZWAI-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.72
Rot. Bonds4

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

benzyl 2-hydroxy-5-methyl-3-phenylbenzoate (PubChem CID 59014793) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is benzyl 2-hydroxy-5-methyl-3-phenylbenzoate.

Molecular Properties

Compound Namebenzyl 2-hydroxy-5-methyl-3-phenylbenzoate
PubChem CID59014793
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Namebenzyl 2-hydroxy-5-methyl-3-phenylbenzoate
SMILESCc1cc(C(=O)OCc2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C21H18O3/c1-15-12-18(17-10-6-3-7-11-17)20(22)19(13-15)21(23)24-14-16-8-4-2-5-9-16/h2-13,22H,14H2,1H3
InChIKeyBXLMVIPPIZZWAI-UHFFFAOYSA-N
XLogP4.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxy-5-methyl-3-phenylbenzoate?
The IUPAC name of benzyl 2-hydroxy-5-methyl-3-phenylbenzoate (CID 59014793) is benzyl 2-hydroxy-5-methyl-3-phenylbenzoate.
What is the SMILES notation for benzyl 2-hydroxy-5-methyl-3-phenylbenzoate?
The canonical SMILES for benzyl 2-hydroxy-5-methyl-3-phenylbenzoate is Cc1cc(C(=O)OCc2ccccc2)c(O)c(-c2ccccc2)c1.
What is the InChIKey of benzyl 2-hydroxy-5-methyl-3-phenylbenzoate?
The InChIKey is BXLMVIPPIZZWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-15-12-18(17-10-6-3-7-11-17)20(22)19(13-15)21(23)24-14-16-8-4-2-5-9-16/h2-13,22H,14H2,1H3.
What are the key properties of benzyl 2-hydroxy-5-methyl-3-phenylbenzoate?
benzyl 2-hydroxy-5-methyl-3-phenylbenzoate has a molecular weight of 318.37 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxy-5-methyl-3-phenylbenzoate is sourced from PubChem (CID 59014793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).