2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid

C19H22O3 — CID 18705334

IUPAC2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid
SMILESCC(C)Cc1cccc(CC(=O)O)c1OCc1ccccc1
InChIInChI=1S/C19H22O3/c1-14(2)11-16-9-6-10-17(12-18(20)21)19(16)22-13-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3,(H,20,21)
InChIKeyNJOVNZKAHDWVGM-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.09
Rot. Bonds7

About 2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid

2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid (PubChem CID 18705334) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid
PubChem CID18705334
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid
SMILESCC(C)Cc1cccc(CC(=O)O)c1OCc1ccccc1
InChIInChI=1S/C19H22O3/c1-14(2)11-16-9-6-10-17(12-18(20)21)19(16)22-13-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3,(H,20,21)
InChIKeyNJOVNZKAHDWVGM-UHFFFAOYSA-N
XLogP4.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(2-methylpropyl)-2-phenylmethoxyphenyl]methoxy]-1,2-di(propan-2-yl)pyrazolidine
CID 139707211
4-[[2-[2-[(1,2-diethylpyrazolidin-4-yl)amino]-2-oxoethyl]-6-(2-methylpropyl)phenoxy]methyl]benzoic acid
CID 139707221
3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 117461801
2,2-dimethyl-6-(2-methylpropyl)-5-phenylmethoxy-1,3-benzodioxin-4-one
CID 59127502
1,3-dibromo-5-(2-methylpropyl)-2-phenylmethoxybenzene
CID 164892875
methyl 3-(2-oxopropyl)-2-phenylmethoxybenzoate
CID 13255232
2-phenylmethoxybenzene-1,3-diol
CID 15652625
2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol
CID 59127477
methyl (2S)-3-(3-bromo-2-phenylmethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 171104092
2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol
CID 170856943
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
2-[3,5-dibenzyl-4-[(4-chlorophenyl)methoxy]phenyl]acetic acid
CID 175659552

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid?
The IUPAC name of 2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid (CID 18705334) is 2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid is CC(C)Cc1cccc(CC(=O)O)c1OCc1ccccc1.
What is the InChIKey of 2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid?
The InChIKey is NJOVNZKAHDWVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-14(2)11-16-9-6-10-17(12-18(20)21)19(16)22-13-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3,(H,20,21).
What are the key properties of 2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid?
2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid is sourced from PubChem (CID 18705334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).