(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate

C16H16O5 — CID 8954351

IUPAC(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate
SMILESCOc1ccc(C)cc1COC(=O)c1ccc(O)cc1O
InChIInChI=1S/C16H16O5/c1-10-3-6-15(20-2)11(7-10)9-21-16(19)13-5-4-12(17)8-14(13)18/h3-8,17-18H,9H2,1-2H3
InChIKeyJTSPRGXMMWTFIU-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.77
Rot. Bonds4

About (2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate

(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate (PubChem CID 8954351) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate
PubChem CID8954351
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate
SMILESCOc1ccc(C)cc1COC(=O)c1ccc(O)cc1O
InChIInChI=1S/C16H16O5/c1-10-3-6-15(20-2)11(7-10)9-21-16(19)13-5-4-12(17)8-14(13)18/h3-8,17-18H,9H2,1-2H3
InChIKeyJTSPRGXMMWTFIU-UHFFFAOYSA-N
XLogP2.77
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
CID 60730510
(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450676
(2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate
CID 18169991
(2-methoxy-5-methylphenyl)methyl 4-aminobenzoate
CID 60730788
(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7603582
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870764
(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate
CID 18197147
(2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 8867472
(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 2611649
(2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate
CID 62162231
(2-methoxy-5-methylphenyl)methyl 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 7628172
(2-methoxy-5-methylphenyl)methyl 4-methylsulfonylbenzoate
CID 8955135

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate (CID 8954351) is (2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate is COc1ccc(C)cc1COC(=O)c1ccc(O)cc1O.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate?
The InChIKey is JTSPRGXMMWTFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-10-3-6-15(20-2)11(7-10)9-21-16(19)13-5-4-12(17)8-14(13)18/h3-8,17-18H,9H2,1-2H3.
What are the key properties of (2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate?
(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate has a molecular weight of 288.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate is sourced from PubChem (CID 8954351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).