phenyl 2-methoxybenzoate

C14H12O3 — CID 517799

IUPACphenyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccccc1
InChIInChI=1S/C14H12O3/c1-16-13-10-6-5-9-12(13)14(15)17-11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyLZRFQYZCMVMADF-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.91
Rot. Bonds3

About phenyl 2-methoxybenzoate

phenyl 2-methoxybenzoate (PubChem CID 517799) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is phenyl 2-methoxybenzoate.

Molecular Properties

Compound Namephenyl 2-methoxybenzoate
PubChem CID517799
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Namephenyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccccc1
InChIInChI=1S/C14H12O3/c1-16-13-10-6-5-9-12(13)14(15)17-11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyLZRFQYZCMVMADF-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-methoxybenzoate?
The IUPAC name of phenyl 2-methoxybenzoate (CID 517799) is phenyl 2-methoxybenzoate.
What is the SMILES notation for phenyl 2-methoxybenzoate?
The canonical SMILES for phenyl 2-methoxybenzoate is COc1ccccc1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-methoxybenzoate?
The InChIKey is LZRFQYZCMVMADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-16-13-10-6-5-9-12(13)14(15)17-11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of phenyl 2-methoxybenzoate?
phenyl 2-methoxybenzoate has a molecular weight of 228.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-methoxybenzoate is sourced from PubChem (CID 517799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).