2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid

C23H22O4 — CID 70345355

IUPAC2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid
SMILESCOc1cc(C(Cc2ccccc2)OCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C23H22O4/c1-26-22-15-19(12-13-20(22)23(24)25)21(14-17-8-4-2-5-9-17)27-16-18-10-6-3-7-11-18/h2-13,15,21H,14,16H2,1H3,(H,24,25)
InChIKeyVXYSHZCDZITLQM-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.89
Rot. Bonds8

About 2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid

2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid (PubChem CID 70345355) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid
PubChem CID70345355
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid
SMILESCOc1cc(C(Cc2ccccc2)OCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C23H22O4/c1-26-22-15-19(12-13-20(22)23(24)25)21(14-17-8-4-2-5-9-17)27-16-18-10-6-3-7-11-18/h2-13,15,21H,14,16H2,1H3,(H,24,25)
InChIKeyVXYSHZCDZITLQM-UHFFFAOYSA-N
XLogP4.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-bromophenyl)-1-phenylmethoxyethyl]-2-hydroxybenzoic acid
CID 70345902
4-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-methoxybenzoic acid
CID 171856533
3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal
CID 102493094
4-(1-aminopropyl)-2-phenylmethoxybenzoic acid
CID 123417616
5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
CID 16754043
[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate
CID 101183057
4-ethyl-2-methoxybenzoic acid
CID 18687349
2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 54000159
4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2-methoxybenzoic acid
CID 171866710
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid
CID 91360158

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid?
The IUPAC name of 2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid (CID 70345355) is 2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid.
What is the SMILES notation for 2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid?
The canonical SMILES for 2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid is COc1cc(C(Cc2ccccc2)OCc2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid?
The InChIKey is VXYSHZCDZITLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-26-22-15-19(12-13-20(22)23(24)25)21(14-17-8-4-2-5-9-17)27-16-18-10-6-3-7-11-18/h2-13,15,21H,14,16H2,1H3,(H,24,25).
What are the key properties of 2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid?
2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid has a molecular weight of 362.43 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-phenyl-1-phenylmethoxyethyl)benzoic acid is sourced from PubChem (CID 70345355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).