2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid

C22H28O3 — CID 20722165

IUPAC2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid
SMILESCc1ccc(C(C)(C)c2ccc(CCC(C)(CO)C(=O)O)cc2)cc1
InChIInChI=1S/C22H28O3/c1-16-5-9-18(10-6-16)21(2,3)19-11-7-17(8-12-19)13-14-22(4,15-23)20(24)25/h5-12,23H,13-15H2,1-4H3,(H,24,25)
InChIKeyOPONTPIOZGGGHN-UHFFFAOYSA-N
MW340.46 g/mol
LogP4.34
Rot. Bonds7

About 2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid

2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid (PubChem CID 20722165) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid
PubChem CID20722165
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid
SMILESCc1ccc(C(C)(C)c2ccc(CCC(C)(CO)C(=O)O)cc2)cc1
InChIInChI=1S/C22H28O3/c1-16-5-9-18(10-6-16)21(2,3)19-11-7-17(8-12-19)13-14-22(4,15-23)20(24)25/h5-12,23H,13-15H2,1-4H3,(H,24,25)
InChIKeyOPONTPIOZGGGHN-UHFFFAOYSA-N
XLogP4.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[2-(4-methylphenyl)ethyl]propanedioic acid
CID 71765934
4-(3-tert-butyl-4-methylphenyl)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 158066900
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185
3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol
CID 54337384
(2R)-4-[3-tert-butyl-4-(trifluoromethyl)phenyl]-2-(hydroxymethyl)-2-methylbutanoic acid
CID 165028153
1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159025923
1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene
CID 59427035
4-(4-chlorophenyl)-2-ethyl-2-methylbutanoic acid
CID 171407879
(4S)-4-amino-2-[2-[4-(3-fluoropropyl)phenyl]ethyl]-2-methylpentanedioic acid
CID 70957055
2-amino-2-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]propane-1,3-diol
CID 143349364
4,4-dimethyl-6-(4-methylphenyl)hexan-3-one
CID 159889737
1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159662015

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid?
The IUPAC name of 2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid (CID 20722165) is 2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid.
What is the SMILES notation for 2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid?
The canonical SMILES for 2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid is Cc1ccc(C(C)(C)c2ccc(CCC(C)(CO)C(=O)O)cc2)cc1.
What is the InChIKey of 2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid?
The InChIKey is OPONTPIOZGGGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-16-5-9-18(10-6-16)21(2,3)19-11-7-17(8-12-19)13-14-22(4,15-23)20(24)25/h5-12,23H,13-15H2,1-4H3,(H,24,25).
What are the key properties of 2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid?
2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid has a molecular weight of 340.46 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid is sourced from PubChem (CID 20722165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).