(2-hydroxy-6-methoxyphenyl)methyl benzoate

C15H14O4 — CID 127260385

IUPAC(2-hydroxy-6-methoxyphenyl)methyl benzoate
SMILESCOc1cccc(O)c1COC(=O)c1ccccc1
InChIInChI=1S/C15H14O4/c1-18-14-9-5-8-13(16)12(14)10-19-15(17)11-6-3-2-4-7-11/h2-9,16H,10H2,1H3
InChIKeyZKMNHQCDNRTISA-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.76
Rot. Bonds4

About (2-hydroxy-6-methoxyphenyl)methyl benzoate

(2-hydroxy-6-methoxyphenyl)methyl benzoate (PubChem CID 127260385) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2-hydroxy-6-methoxyphenyl)methyl benzoate.

Molecular Properties

Compound Name(2-hydroxy-6-methoxyphenyl)methyl benzoate
PubChem CID127260385
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(2-hydroxy-6-methoxyphenyl)methyl benzoate
SMILESCOc1cccc(O)c1COC(=O)c1ccccc1
InChIInChI=1S/C15H14O4/c1-18-14-9-5-8-13(16)12(14)10-19-15(17)11-6-3-2-4-7-11/h2-9,16H,10H2,1H3
InChIKeyZKMNHQCDNRTISA-UHFFFAOYSA-N
XLogP2.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-6-methoxyphenyl)methyl acetate
CID 162054633
ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
CID 46735271
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
(2-amino-6-chlorophenyl)methyl benzoate
CID 134095061
3-methoxy-2-(2-phenylethyl)phenol
CID 44887037
benzyl benzoate
CID 2345
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
benzyl 3-hydroxybenzoate
CID 11736317
(5-formyl-2-methoxyphenyl)methyl benzoate
CID 11558087
2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one
CID 154722868
3-(2-methoxyphenyl)prop-2-ynyl benzoate
CID 162397532
2-benzoyloxyethyl 2,3,4-trimethoxybenzoate
CID 30194766

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-6-methoxyphenyl)methyl benzoate?
The IUPAC name of (2-hydroxy-6-methoxyphenyl)methyl benzoate (CID 127260385) is (2-hydroxy-6-methoxyphenyl)methyl benzoate.
What is the SMILES notation for (2-hydroxy-6-methoxyphenyl)methyl benzoate?
The canonical SMILES for (2-hydroxy-6-methoxyphenyl)methyl benzoate is COc1cccc(O)c1COC(=O)c1ccccc1.
What is the InChIKey of (2-hydroxy-6-methoxyphenyl)methyl benzoate?
The InChIKey is ZKMNHQCDNRTISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-14-9-5-8-13(16)12(14)10-19-15(17)11-6-3-2-4-7-11/h2-9,16H,10H2,1H3.
What are the key properties of (2-hydroxy-6-methoxyphenyl)methyl benzoate?
(2-hydroxy-6-methoxyphenyl)methyl benzoate has a molecular weight of 258.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-6-methoxyphenyl)methyl benzoate is sourced from PubChem (CID 127260385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).