3-hydroxy-4-(2-phenylphenyl)butanoic acid

C16H16O3 — CID 53424527

IUPAC3-hydroxy-4-(2-phenylphenyl)butanoic acid
SMILESO=C(O)CC(O)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C16H16O3/c17-14(11-16(18)19)10-13-8-4-5-9-15(13)12-6-2-1-3-7-12/h1-9,14,17H,10-11H2,(H,18,19)
InChIKeyMKOMGFPEFYKIGZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.73
Rot. Bonds5

About 3-hydroxy-4-(2-phenylphenyl)butanoic acid

3-hydroxy-4-(2-phenylphenyl)butanoic acid (PubChem CID 53424527) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-hydroxy-4-(2-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(2-phenylphenyl)butanoic acid
PubChem CID53424527
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-hydroxy-4-(2-phenylphenyl)butanoic acid
SMILESO=C(O)CC(O)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C16H16O3/c17-14(11-16(18)19)10-13-8-4-5-9-15(13)12-6-2-1-3-7-12/h1-9,14,17H,10-11H2,(H,18,19)
InChIKeyMKOMGFPEFYKIGZ-UHFFFAOYSA-N
XLogP2.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-phenylphenyl)propane-1,2-diol
CID 154118569
2-hydroxy-3-(2-phenylphenyl)propanoic acid
CID 150667818
(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
CID 67621465
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
(E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid
CID 70116548
[2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate
CID 54032362
1-[2-hydroxy-3-(2-phenylphenyl)propyl]pyrrolidine-3,4-diol
CID 21396209
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
bis[(2-phenylphenyl)methylsulfanyl]methanone
CID 87227183
2-(2,6-diphenylphenyl)acetic acid
CID 69422987
1-phenyl-2-[(2-phenylphenyl)methyl]benzene
CID 54434316
1-(2,2-dimethoxyethyl)-2-phenylbenzene
CID 174663950

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-phenylphenyl)butanoic acid?
The IUPAC name of 3-hydroxy-4-(2-phenylphenyl)butanoic acid (CID 53424527) is 3-hydroxy-4-(2-phenylphenyl)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(2-phenylphenyl)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(2-phenylphenyl)butanoic acid is O=C(O)CC(O)Cc1ccccc1-c1ccccc1.
What is the InChIKey of 3-hydroxy-4-(2-phenylphenyl)butanoic acid?
The InChIKey is MKOMGFPEFYKIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-14(11-16(18)19)10-13-8-4-5-9-15(13)12-6-2-1-3-7-12/h1-9,14,17H,10-11H2,(H,18,19).
What are the key properties of 3-hydroxy-4-(2-phenylphenyl)butanoic acid?
3-hydroxy-4-(2-phenylphenyl)butanoic acid has a molecular weight of 256.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-phenylphenyl)butanoic acid is sourced from PubChem (CID 53424527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).