3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid

C18H20O4 — CID 150023233

IUPAC3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid
SMILESCCC(c1ccc(O)cc1)C(C)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C18H20O4/c1-3-16(13-9-11-14(19)12-10-13)18(2,17(20)21)22-15-7-5-4-6-8-15/h4-12,16,19H,3H2,1-2H3,(H,20,21)
InChIKeyDFRUXPYMUDFDJT-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.81
Rot. Bonds6

About 3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid

3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid (PubChem CID 150023233) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid
PubChem CID150023233
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid
SMILESCCC(c1ccc(O)cc1)C(C)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C18H20O4/c1-3-16(13-9-11-14(19)12-10-13)18(2,17(20)21)22-15-7-5-4-6-8-15/h4-12,16,19H,3H2,1-2H3,(H,20,21)
InChIKeyDFRUXPYMUDFDJT-UHFFFAOYSA-N
XLogP3.81
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenoxy)-2,3-dimethyl-4-phenylbutanoic acid
CID 70484997
2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid
CID 70410018
2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol
CID 150256890
2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
CID 22261112
2-[4-(2-bromo-1-phenylethyl)phenoxy]-2-methylpropanoic acid
CID 68886637
2-hydroxy-2-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
CID 158122104
4-phenoxyphenol;propanoic acid
CID 67658817
(4-hydroxyphenyl) 4-(4-hydroxyphenyl)-2,2-dimethylhexanoate
CID 118632879
ethane;ethyl 2-methyl-2-phenoxypropanoate;phenol
CID 159600538
2,2-dibromo-2-phenoxyacetic acid
CID 154192322
2,2-diphenoxybutanoic acid
CID 159827255
bis(4-hydroxyphenyl)-phenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-hydroxyphenyl)sulfanium
CID 159429965

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid (CID 150023233) is 3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid is CCC(c1ccc(O)cc1)C(C)(Oc1ccccc1)C(=O)O.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid?
The InChIKey is DFRUXPYMUDFDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-16(13-9-11-14(19)12-10-13)18(2,17(20)21)22-15-7-5-4-6-8-15/h4-12,16,19H,3H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid?
3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid is sourced from PubChem (CID 150023233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).