3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid

C18H20O5 — CID 67484587

IUPAC3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid
SMILESCOC(C)COc1cc(OCc2ccccc2)cc(C(=O)O)c1
InChIInChI=1S/C18H20O5/c1-13(21-2)11-22-16-8-15(18(19)20)9-17(10-16)23-12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKeyMLVOVNCQXIWUQD-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.38
Rot. Bonds8

About 3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid

3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid (PubChem CID 67484587) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid
PubChem CID67484587
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid
SMILESCOC(C)COc1cc(OCc2ccccc2)cc(C(=O)O)c1
InChIInChI=1S/C18H20O5/c1-13(21-2)11-22-16-8-15(18(19)20)9-17(10-16)23-12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKeyMLVOVNCQXIWUQD-UHFFFAOYSA-N
XLogP3.38
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxypropoxy)-4-phenylmethoxybenzene
CID 174203616
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane
CID 161286829
methyl 3-[(2S)-butan-2-yl]oxy-5-phenylmethoxybenzoate
CID 59127096
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene
CID 67489263
1-(4-phenylmethoxyphenoxy)propan-2-yl acetate
CID 54480267
3,5-bis(phenylmethoxy)benzoate
CID 6986896
benzyl 3,5-bis(phenylmethoxy)benzoate;3,5-dihydroxybenzoic acid
CID 158844750
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
CID 170676127

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid?
The IUPAC name of 3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid (CID 67484587) is 3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid.
What is the SMILES notation for 3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid?
The canonical SMILES for 3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid is COC(C)COc1cc(OCc2ccccc2)cc(C(=O)O)c1.
What is the InChIKey of 3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid?
The InChIKey is MLVOVNCQXIWUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-13(21-2)11-22-16-8-15(18(19)20)9-17(10-16)23-12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid?
3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid has a molecular weight of 316.35 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid is sourced from PubChem (CID 67484587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).