2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid

C26H28O7 — CID 174452504

IUPAC2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid
SMILESCOc1c(C)c(Cc2cccc(COc3ccccc3C(=O)O)c2)c(OC)c(OC)c1OC
InChIInChI=1S/C26H28O7/c1-16-20(23(30-3)25(32-5)24(31-4)22(16)29-2)14-17-9-8-10-18(13-17)15-33-21-12-7-6-11-19(21)26(27)28/h6-13H,14-15H2,1-5H3,(H,27,28)
InChIKeyKIDJLVWGMXRNFS-UHFFFAOYSA-N
MW452.50 g/mol
LogP4.90
Rot. Bonds10

About 2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid

2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid (PubChem CID 174452504) has the molecular formula C26H28O7 and a molecular weight of 452.50 g/mol. Its IUPAC name is 2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid.

Molecular Properties

Compound Name2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid
PubChem CID174452504
Molecular FormulaC26H28O7
Molecular Weight452.50 g/mol
Exact Mass452.18
IUPAC Name2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid
SMILESCOc1c(C)c(Cc2cccc(COc3ccccc3C(=O)O)c2)c(OC)c(OC)c1OC
InChIInChI=1S/C26H28O7/c1-16-20(23(30-3)25(32-5)24(31-4)22(16)29-2)14-17-9-8-10-18(13-17)15-33-21-12-7-6-11-19(21)26(27)28/h6-13H,14-15H2,1-5H3,(H,27,28)
InChIKeyKIDJLVWGMXRNFS-UHFFFAOYSA-N
XLogP4.90
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
3-[(3-methylphenyl)methoxy]phthalic acid
CID 66906397
1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene
CID 139821810
3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid
CID 82826882
5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339710
1,3-didiazopropan-2-one;3-[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]propanoic acid
CID 160981987
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028
2-[(2-benzylphenyl)methoxy]benzoic acid
CID 22362973
dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid?
The IUPAC name of 2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid (CID 174452504) is 2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid.
What is the SMILES notation for 2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid?
The canonical SMILES for 2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid is COc1c(C)c(Cc2cccc(COc3ccccc3C(=O)O)c2)c(OC)c(OC)c1OC.
What is the InChIKey of 2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid?
The InChIKey is KIDJLVWGMXRNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O7/c1-16-20(23(30-3)25(32-5)24(31-4)22(16)29-2)14-17-9-8-10-18(13-17)15-33-21-12-7-6-11-19(21)26(27)28/h6-13H,14-15H2,1-5H3,(H,27,28).
What are the key properties of 2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid?
2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid has a molecular weight of 452.50 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid is sourced from PubChem (CID 174452504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).