4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid

C21H18O4 — CID 10616703

IUPAC4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid
SMILESCOCOc1cc(-c2ccccc2)ccc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C21H18O4/c1-24-14-25-20-13-18(15-5-3-2-4-6-15)11-12-19(20)16-7-9-17(10-8-16)21(22)23/h2-13H,14H2,1H3,(H,22,23)
InChIKeyZVZYIVVWSZRXTM-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.70
Rot. Bonds6

About 4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid

4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid (PubChem CID 10616703) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid
PubChem CID10616703
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid
SMILESCOCOc1cc(-c2ccccc2)ccc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C21H18O4/c1-24-14-25-20-13-18(15-5-3-2-4-6-15)11-12-19(20)16-7-9-17(10-8-16)21(22)23/h2-13H,14H2,1H3,(H,22,23)
InChIKeyZVZYIVVWSZRXTM-UHFFFAOYSA-N
XLogP4.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(methoxymethoxy)benzoic acid
CID 10421835
3-benzoyloxy-4-phenylbenzoic acid
CID 19859975
4-[4-(4-carboxyphenyl)-2,5-diethoxyphenyl]benzoic acid
CID 122385640
1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene
CID 118944139
2-[4-(4-hydroxyphenyl)-3-(methoxymethoxy)phenyl]acetic acid
CID 69378821
4-bromo-3-(methoxymethoxy)benzoic acid
CID 69238735
N-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide
CID 89089727
4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11462658
ethane;4-phenylbenzoic acid;propane
CID 156791718
3-formyloxy-4-phenylbenzoic acid
CID 88506410
3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
CID 24899884
6-(methoxymethoxy)-3-phenyl-2-(phenylsulfanylmethyl)benzoic acid
CID 59467096

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid?
The IUPAC name of 4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid (CID 10616703) is 4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid.
What is the SMILES notation for 4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid?
The canonical SMILES for 4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid is COCOc1cc(-c2ccccc2)ccc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid?
The InChIKey is ZVZYIVVWSZRXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c1-24-14-25-20-13-18(15-5-3-2-4-6-15)11-12-19(20)16-7-9-17(10-8-16)21(22)23/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of 4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid?
4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid has a molecular weight of 334.37 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid is sourced from PubChem (CID 10616703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).