4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid

C23H20O4 — CID 10689868

IUPAC4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid
SMILESO=C(O)CC(C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H20O4/c24-22(25)15-21(18-10-5-2-6-11-18)23(26)19-12-7-13-20(14-19)27-16-17-8-3-1-4-9-17/h1-14,21H,15-16H2,(H,24,25)
InChIKeyRXBSZCCEFFPHDM-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.71
Rot. Bonds8

About 4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid

4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid (PubChem CID 10689868) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid
PubChem CID10689868
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid
SMILESO=C(O)CC(C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H20O4/c24-22(25)15-21(18-10-5-2-6-11-18)23(26)19-12-7-13-20(14-19)27-16-17-8-3-1-4-9-17/h1-14,21H,15-16H2,(H,24,25)
InChIKeyRXBSZCCEFFPHDM-UHFFFAOYSA-N
XLogP4.71
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-methylphenyl)-5-oxo-5-(3-phenylmethoxyphenyl)pentanoate
CID 10668818
(4S)-5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoic acid
CID 70226743
(4S)-4-(2-ethylphenyl)-5-oxo-5-(3-phenylmethoxyphenyl)pentanoic acid
CID 70223821
3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one
CID 105091669
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
3-phenylmethoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 60521820
(4S)-5-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-oxo-4-phenylpentanoic acid
CID 70225759
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
3-hydroxy-3-(3-phenylmethoxyphenyl)propanamide
CID 68644594
methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 46657420

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid?
The IUPAC name of 4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid (CID 10689868) is 4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid.
What is the SMILES notation for 4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid?
The canonical SMILES for 4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid is O=C(O)CC(C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid?
The InChIKey is RXBSZCCEFFPHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c24-22(25)15-21(18-10-5-2-6-11-18)23(26)19-12-7-13-20(14-19)27-16-17-8-3-1-4-9-17/h1-14,21H,15-16H2,(H,24,25).
What are the key properties of 4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid?
4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid has a molecular weight of 360.41 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid is sourced from PubChem (CID 10689868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).