4-(4-hydroxyphenyl)-3-phenylbutanoic acid

C16H16O3 — CID 18772164

IUPAC4-(4-hydroxyphenyl)-3-phenylbutanoic acid
SMILESO=C(O)CC(Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C16H16O3/c17-15-8-6-12(7-9-15)10-14(11-16(18)19)13-4-2-1-3-5-13/h1-9,14,17H,10-11H2,(H,18,19)
InChIKeyBWKFJVVELTZAKE-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.19
Rot. Bonds5

About 4-(4-hydroxyphenyl)-3-phenylbutanoic acid

4-(4-hydroxyphenyl)-3-phenylbutanoic acid (PubChem CID 18772164) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-3-phenylbutanoic acid.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-3-phenylbutanoic acid
PubChem CID18772164
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name4-(4-hydroxyphenyl)-3-phenylbutanoic acid
SMILESO=C(O)CC(Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C16H16O3/c17-15-8-6-12(7-9-15)10-14(11-16(18)19)13-4-2-1-3-5-13/h1-9,14,17H,10-11H2,(H,18,19)
InChIKeyBWKFJVVELTZAKE-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid
CID 22496064
4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol
CID 168874199
4-[4-(3-aminopropoxy)phenyl]-3-phenylbutanoic acid
CID 70116294
methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate
CID 125467308
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
(3R)-3,5-diphenylpentanoic acid
CID 821797
4-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)butanoic acid
CID 54127958
ethane;3-phenylpentanoic acid
CID 142147200
4-(1-phenyl-3-sulfanylpropan-2-yl)phenol;hydrochloride
CID 173351855
(3R)-4-(4-tert-butylphenyl)-1,3-diphenylbutan-1-one
CID 101258013
(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 57368433

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-3-phenylbutanoic acid?
The IUPAC name of 4-(4-hydroxyphenyl)-3-phenylbutanoic acid (CID 18772164) is 4-(4-hydroxyphenyl)-3-phenylbutanoic acid.
What is the SMILES notation for 4-(4-hydroxyphenyl)-3-phenylbutanoic acid?
The canonical SMILES for 4-(4-hydroxyphenyl)-3-phenylbutanoic acid is O=C(O)CC(Cc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-3-phenylbutanoic acid?
The InChIKey is BWKFJVVELTZAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-15-8-6-12(7-9-15)10-14(11-16(18)19)13-4-2-1-3-5-13/h1-9,14,17H,10-11H2,(H,18,19).
What are the key properties of 4-(4-hydroxyphenyl)-3-phenylbutanoic acid?
4-(4-hydroxyphenyl)-3-phenylbutanoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-3-phenylbutanoic acid is sourced from PubChem (CID 18772164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).