2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid

C16H16O3 — CID 80741371

IUPAC2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
SMILESCc1ccc(COc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C16H16O3/c1-12-6-8-13(9-7-12)11-19-15-5-3-2-4-14(15)10-16(17)18/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyVRSRHKJCPXYEQU-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.20
Rot. Bonds5

About 2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid

2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid (PubChem CID 80741371) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
PubChem CID80741371
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
SMILESCc1ccc(COc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C16H16O3/c1-12-6-8-13(9-7-12)11-19-15-5-3-2-4-14(15)10-16(17)18/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyVRSRHKJCPXYEQU-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273
2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid
CID 80722666
(4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium
CID 8623256
2-[(4-methylphenyl)methoxy]benzoyl chloride
CID 46779704
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid
CID 80722668
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 66527996
1-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22682759
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid (CID 80741371) is 2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid is Cc1ccc(COc2ccccc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid?
The InChIKey is VRSRHKJCPXYEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-6-8-13(9-7-12)11-19-15-5-3-2-4-14(15)10-16(17)18/h2-9H,10-11H2,1H3,(H,17,18).
What are the key properties of 2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid?
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 80741371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).