azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid

C23H24ClNO3 — CID 173433040

IUPACazane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid
SMILESCCC(OCc1ccc(-c2ccc(Cl)cc2)cc1)(C(=O)O)c1ccccc1.N
InChIInChI=1S/C23H21ClO3.H3N/c1-2-23(22(25)26,20-6-4-3-5-7-20)27-16-17-8-10-18(11-9-17)19-12-14-21(24)15-13-19;/h3-15H,2,16H2,1H3,(H,25,26);1H3
InChIKeyAOXVYDUFQVBMQN-UHFFFAOYSA-N
MW397.90 g/mol
LogP6.08
Rot. Bonds7

About azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid

azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid (PubChem CID 173433040) has the molecular formula C23H24ClNO3 and a molecular weight of 397.90 g/mol. Its IUPAC name is azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid.

Molecular Properties

Compound Nameazane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid
PubChem CID173433040
Molecular FormulaC23H24ClNO3
Molecular Weight397.90 g/mol
Exact Mass397.14
IUPAC Nameazane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid
SMILESCCC(OCc1ccc(-c2ccc(Cl)cc2)cc1)(C(=O)O)c1ccccc1.N
InChIInChI=1S/C23H21ClO3.H3N/c1-2-23(22(25)26,20-6-4-3-5-7-20)27-16-17-8-10-18(11-9-17)19-12-14-21(24)15-13-19;/h3-15H,2,16H2,1H3,(H,25,26);1H3
InChIKeyAOXVYDUFQVBMQN-UHFFFAOYSA-N
XLogP6.08
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.90
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-[4-(2-phenylbutan-2-yloxymethyl)phenyl]benzene
CID 59036889
2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride
CID 154165073
2-phenoxy-2-phenylbutanoic acid
CID 20567350
(4-chlorophenyl)methyl 2-amino-2-phenylpropanoate
CID 65127341
2-phenoxy-2-phenylbutanoic acid;dihydrate
CID 20567349
2-(4-chlorophenyl)-2-phenylmethoxypent-3-ynoic acid
CID 57304576
diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate
CID 67230867
2-methyl-2-phenylmethoxybutanoic acid
CID 14683642
1-chloro-4-(4-methylphenyl)benzene;ethane;2-ethyl-2-hydroxybutanoic acid;methanol;toluene
CID 142064979
dimethyl 2-(4-chlorophenyl)-2-hydroxy-3-phenyl-3-phenylmethoxybutanedioate
CID 102391880
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474
ethyl 2-ethoxy-2-phenylbutanoate
CID 141059319

Frequently Asked Questions

What is the IUPAC name of azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid?
The IUPAC name of azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid (CID 173433040) is azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid.
What is the SMILES notation for azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid?
The canonical SMILES for azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid is CCC(OCc1ccc(-c2ccc(Cl)cc2)cc1)(C(=O)O)c1ccccc1.N.
What is the InChIKey of azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid?
The InChIKey is AOXVYDUFQVBMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClO3.H3N/c1-2-23(22(25)26,20-6-4-3-5-7-20)27-16-17-8-10-18(11-9-17)19-12-14-21(24)15-13-19;/h3-15H,2,16H2,1H3,(H,25,26);1H3.
What are the key properties of azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid?
azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid has a molecular weight of 397.90 g/mol, XLogP of 6.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid is sourced from PubChem (CID 173433040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).