2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid

C25H26O3 — CID 175215114

IUPAC2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2ccccc2)c(CCOCc2ccccc2)c1
InChIInChI=1S/C25H26O3/c1-25(2,24(26)27)22-13-14-23(20-11-7-4-8-12-20)21(17-22)15-16-28-18-19-9-5-3-6-10-19/h3-14,17H,15-16,18H2,1-2H3,(H,26,27)
InChIKeyDPPCEDTZOHIQSW-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.48
Rot. Bonds8

About 2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid

2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid (PubChem CID 175215114) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid
PubChem CID175215114
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2ccccc2)c(CCOCc2ccccc2)c1
InChIInChI=1S/C25H26O3/c1-25(2,24(26)27)22-13-14-23(20-11-7-4-8-12-20)21(17-22)15-16-28-18-19-9-5-3-6-10-19/h3-14,17H,15-16,18H2,1-2H3,(H,26,27)
InChIKeyDPPCEDTZOHIQSW-UHFFFAOYSA-N
XLogP5.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methyl-2-[4-[4-(2-phenylmethoxyethyl)phenyl]phenyl]propanoate
CID 118254752
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxymethyl)propanoic acid
CID 22557178
4-methyl-2-(2-phenylmethoxyethyl)benzenesulfonic acid
CID 87200037
2-fluoro-2-(phenylmethoxymethyl)propanedioic acid
CID 67878922
[3-(2-phenylmethoxyethyl)phenyl]methanol
CID 59371444
tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-(2-phenylmethoxyethyl)carbamate
CID 160954727
tert-butyl 2-(4-phenylmethoxybutoxy)acetate
CID 176906340
2-ethyl-2-(2-phenylmethoxyethoxycarbonyl)butanoic acid
CID 54396741
acetic acid;phenylmethoxymethylbenzene
CID 175214238
(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid (CID 175215114) is 2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid is CC(C)(C(=O)O)c1ccc(-c2ccccc2)c(CCOCc2ccccc2)c1.
What is the InChIKey of 2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid?
The InChIKey is DPPCEDTZOHIQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-25(2,24(26)27)22-13-14-23(20-11-7-4-8-12-20)21(17-22)15-16-28-18-19-9-5-3-6-10-19/h3-14,17H,15-16,18H2,1-2H3,(H,26,27).
What are the key properties of 2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid?
2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid has a molecular weight of 374.48 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-phenyl-3-(2-phenylmethoxyethyl)phenyl]propanoic acid is sourced from PubChem (CID 175215114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).