2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid

C28H24O4 — CID 22241403

IUPAC2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid
SMILESCc1cccc(COc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)c1C(=O)O
InChIInChI=1S/C28H24O4/c1-20-7-5-10-24(27(20)28(29)30)19-32-26-12-6-11-25(17-26)31-18-21-13-15-23(16-14-21)22-8-3-2-4-9-22/h2-17H,18-19H2,1H3,(H,29,30)
InChIKeyXXISGLPLGYCRNR-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.52
Rot. Bonds8

About 2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid

2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid (PubChem CID 22241403) has the molecular formula C28H24O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid
PubChem CID22241403
Molecular FormulaC28H24O4
Molecular Weight424.50 g/mol
Exact Mass424.17
IUPAC Name2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid
SMILESCc1cccc(COc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)c1C(=O)O
InChIInChI=1S/C28H24O4/c1-20-7-5-10-24(27(20)28(29)30)19-32-26-12-6-11-25(17-26)31-18-21-13-15-23(16-14-21)22-8-3-2-4-9-22/h2-17H,18-19H2,1H3,(H,29,30)
InChIKeyXXISGLPLGYCRNR-UHFFFAOYSA-N
XLogP6.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425
ethane;2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 142024512
2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid
CID 22241581
2-methyl-6-[[3-[(3-methylnaphthalen-2-yl)methoxy]phenoxy]methyl]benzoic acid
CID 22241388
methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
CID 22241445
2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22241542
2-[[3-[(2,4-dichlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;ethane
CID 142024078
methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241525
2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid
CID 22241519
2-(2-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10519489
ethane;1-methyl-3-[[3-[(4-propan-2-ylphenyl)methoxy]phenoxy]methyl]-2-prop-1-en-2-ylbenzene
CID 142024340
2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide
CID 142024369

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid?
The IUPAC name of 2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid (CID 22241403) is 2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid.
What is the SMILES notation for 2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid?
The canonical SMILES for 2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid is Cc1cccc(COc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)c1C(=O)O.
What is the InChIKey of 2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid?
The InChIKey is XXISGLPLGYCRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O4/c1-20-7-5-10-24(27(20)28(29)30)19-32-26-12-6-11-25(17-26)31-18-21-13-15-23(16-14-21)22-8-3-2-4-9-22/h2-17H,18-19H2,1H3,(H,29,30).
What are the key properties of 2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid?
2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid has a molecular weight of 424.50 g/mol, XLogP of 6.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid is sourced from PubChem (CID 22241403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).