2-(2-methyl-6-phenylmethoxyphenyl)acetic acid

C16H16O3 — CID 14519888

IUPAC2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
SMILESCc1cccc(OCc2ccccc2)c1CC(=O)O
InChIInChI=1S/C16H16O3/c1-12-6-5-9-15(14(12)10-16(17)18)19-11-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyMFBCIVJUHRKEAU-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.20
Rot. Bonds5

About 2-(2-methyl-6-phenylmethoxyphenyl)acetic acid

2-(2-methyl-6-phenylmethoxyphenyl)acetic acid (PubChem CID 14519888) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(2-methyl-6-phenylmethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
PubChem CID14519888
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
SMILESCc1cccc(OCc2ccccc2)c1CC(=O)O
InChIInChI=1S/C16H16O3/c1-12-6-5-9-15(14(12)10-16(17)18)19-11-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyMFBCIVJUHRKEAU-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-(3-acetyl-2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 91864276
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
2-(6-acetyl-2-methyl-3-phenylmethoxyphenyl)acetic acid
CID 91863973
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
2-[5-(2-cyano-3-phenylmethoxyphenoxy)-2-methylphenyl]acetic acid
CID 139786036
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676
1-methyl-2-phenyl-3-phenylmethoxybenzene
CID 170694613
2-(2-nonanoyl-3-phenylmethoxyphenyl)acetic acid
CID 141184822
(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
N-(2-ethyl-6-methylphenyl)-2-phenylmethoxybenzamide
CID 4946399

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-phenylmethoxyphenyl)acetic acid?
The IUPAC name of 2-(2-methyl-6-phenylmethoxyphenyl)acetic acid (CID 14519888) is 2-(2-methyl-6-phenylmethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-methyl-6-phenylmethoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-methyl-6-phenylmethoxyphenyl)acetic acid is Cc1cccc(OCc2ccccc2)c1CC(=O)O.
What is the InChIKey of 2-(2-methyl-6-phenylmethoxyphenyl)acetic acid?
The InChIKey is MFBCIVJUHRKEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-6-5-9-15(14(12)10-16(17)18)19-11-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,17,18).
What are the key properties of 2-(2-methyl-6-phenylmethoxyphenyl)acetic acid?
2-(2-methyl-6-phenylmethoxyphenyl)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-methyl-6-phenylmethoxyphenyl)acetic acid is sourced from PubChem (CID 14519888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).