3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid

C15H12O3 — CID 68584496

IUPAC3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H12O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-10,16H,(H,17,18)
InChIKeyDSRUVGINFZPVRB-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.16
Rot. Bonds3

About 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid

3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid (PubChem CID 68584496) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
PubChem CID68584496
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H12O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-10,16H,(H,17,18)
InChIKeyDSRUVGINFZPVRB-UHFFFAOYSA-N
XLogP3.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
tris(3-(4-hydroxyphenyl)prop-2-enoic acid);lanthanum
CID 153328544
ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 159734710
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid
CID 175310617
11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid
CID 91104661
(E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 159561023
3-(4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid
CID 70212366
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
(E)-3-[4-(2-methylprop-1-enyl)phenyl]prop-2-enoic acid
CID 19814193
(Z)-3-phenylprop-2-enoic acid
CID 5372954
3,4-dihydroxybenzoic acid;4-hydroxybenzoic acid;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 69114202

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid (CID 68584496) is 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid?
The InChIKey is DSRUVGINFZPVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-10,16H,(H,17,18).
What are the key properties of 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid?
3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid has a molecular weight of 240.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 68584496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).