3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid

C18H20O7 — CID 24899884

IUPAC3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
SMILESCOCOc1cc(C(=O)O)cc(OCOC)c1OCc1ccccc1
InChIInChI=1S/C18H20O7/c1-21-11-24-15-8-14(18(19)20)9-16(25-12-22-2)17(15)23-10-13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3,(H,19,20)
InChIKeyWTUSOTXTDGFPTO-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.93
Rot. Bonds10

About 3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid

3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid (PubChem CID 24899884) has the molecular formula C18H20O7 and a molecular weight of 348.35 g/mol. Its IUPAC name is 3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
PubChem CID24899884
Molecular FormulaC18H20O7
Molecular Weight348.35 g/mol
Exact Mass348.12
IUPAC Name3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
SMILESCOCOc1cc(C(=O)O)cc(OCOC)c1OCc1ccccc1
InChIInChI=1S/C18H20O7/c1-21-11-24-15-8-14(18(19)20)9-16(25-12-22-2)17(15)23-10-13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3,(H,19,20)
InChIKeyWTUSOTXTDGFPTO-UHFFFAOYSA-N
XLogP2.93
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540
3-[3,5-bis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)benzoyl]oxypropyl 3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoate
CID 73058419
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde
CID 146193205
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893
4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
CID 59303396
3-methoxy-5-(methylsulfanylmethyl)-4-phenylmethoxybenzoic acid
CID 91678087
3,4-bis(methoxymethoxy)benzoic acid
CID 10421835
2,2-dimethyl-1-(3,4,5-trihydroxyphenyl)propan-1-one;2,2-dimethyl-1-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-one
CID 158298213
4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
CID 73013799
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid?
The IUPAC name of 3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid (CID 24899884) is 3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid.
What is the SMILES notation for 3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid?
The canonical SMILES for 3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid is COCOc1cc(C(=O)O)cc(OCOC)c1OCc1ccccc1.
What is the InChIKey of 3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid?
The InChIKey is WTUSOTXTDGFPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O7/c1-21-11-24-15-8-14(18(19)20)9-16(25-12-22-2)17(15)23-10-13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3,(H,19,20).
What are the key properties of 3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid?
3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid has a molecular weight of 348.35 g/mol, XLogP of 2.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid is sourced from PubChem (CID 24899884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).