2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid

C17H18O4 — CID 67301593

IUPAC2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESCC(O)(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H18O4/c1-17(20,16(18)19)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3,(H,18,19)
InChIKeyCHMMJQPYQFPWIF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.64
Rot. Bonds6

About 2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid

2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid (PubChem CID 67301593) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
PubChem CID67301593
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESCC(O)(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H18O4/c1-17(20,16(18)19)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3,(H,18,19)
InChIKeyCHMMJQPYQFPWIF-UHFFFAOYSA-N
XLogP2.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320
(2R)-3-ethoxy-2-methyl-3-oxo-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid
CID 101480008
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid
CID 21084276
4-phenylmethoxybenzoic acid
CID 68896574
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
(3R)-3-hydroxy-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 96839766
[3,3-dimethyl-2-(oxiran-2-yl)-1-(4-phenylmethoxyphenyl)butan-2-yl] carbamate
CID 87513613
N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride
CID 70068669
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
CID 79353304

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid (CID 67301593) is 2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid is CC(O)(Cc1ccc(OCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is CHMMJQPYQFPWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-17(20,16(18)19)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3,(H,18,19).
What are the key properties of 2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid?
2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 67301593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).