methoxymethylbenzene;2-(methoxymethyl)benzoic acid

C17H20O4 — CID 175486457

IUPACmethoxymethylbenzene;2-(methoxymethyl)benzoic acid
SMILESCOCc1ccccc1.COCc1ccccc1C(=O)O
InChIInChI=1S/C9H10O3.C8H10O/c1-12-6-7-4-2-3-5-8(7)9(10)11;1-9-7-8-5-3-2-4-6-8/h2-5H,6H2,1H3,(H,10,11);2-6H,7H2,1H3
InChIKeyBPLCSXUTNZRKGC-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.36
Rot. Bonds5

About methoxymethylbenzene;2-(methoxymethyl)benzoic acid

methoxymethylbenzene;2-(methoxymethyl)benzoic acid (PubChem CID 175486457) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is methoxymethylbenzene;2-(methoxymethyl)benzoic acid.

Molecular Properties

Compound Namemethoxymethylbenzene;2-(methoxymethyl)benzoic acid
PubChem CID175486457
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Namemethoxymethylbenzene;2-(methoxymethyl)benzoic acid
SMILESCOCc1ccccc1.COCc1ccccc1C(=O)O
InChIInChI=1S/C9H10O3.C8H10O/c1-12-6-7-4-2-3-5-8(7)9(10)11;1-9-7-8-5-3-2-4-6-8/h2-5H,6H2,1H3,(H,10,11);2-6H,7H2,1H3
InChIKeyBPLCSXUTNZRKGC-UHFFFAOYSA-N
XLogP3.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]benzoic acid
CID 103241682
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1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
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methoxymethylbenzene;methyl acetate
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CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
2-(methoxymethyl)-N-methylbenzamide
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formaldehyde;methoxymethylbenzene;tungsten
CID 173357343
lithium;hydride;methoxymethylbenzene
CID 174456658
3-(methoxymethyl)naphthalene-2-carboxylic acid
CID 132596930
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Frequently Asked Questions

What is the IUPAC name of methoxymethylbenzene;2-(methoxymethyl)benzoic acid?
The IUPAC name of methoxymethylbenzene;2-(methoxymethyl)benzoic acid (CID 175486457) is methoxymethylbenzene;2-(methoxymethyl)benzoic acid.
What is the SMILES notation for methoxymethylbenzene;2-(methoxymethyl)benzoic acid?
The canonical SMILES for methoxymethylbenzene;2-(methoxymethyl)benzoic acid is COCc1ccccc1.COCc1ccccc1C(=O)O.
What is the InChIKey of methoxymethylbenzene;2-(methoxymethyl)benzoic acid?
The InChIKey is BPLCSXUTNZRKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C8H10O/c1-12-6-7-4-2-3-5-8(7)9(10)11;1-9-7-8-5-3-2-4-6-8/h2-5H,6H2,1H3,(H,10,11);2-6H,7H2,1H3.
What are the key properties of methoxymethylbenzene;2-(methoxymethyl)benzoic acid?
methoxymethylbenzene;2-(methoxymethyl)benzoic acid has a molecular weight of 288.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylbenzene;2-(methoxymethyl)benzoic acid is sourced from PubChem (CID 175486457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).