1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid

C23H22O4 — CID 175052952

IUPAC1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(OCCO)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C11H12O4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-7-8-15-10-4-1-9(2-5-10)3-6-11(13)14/h1-10H;1-6,12H,7-8H2,(H,13,14)/b;6-3+
InChIKeyRXMXTGPJLDPLHM-GNRCENTLSA-N
MW362.43 g/mol
LogP4.51
Rot. Bonds6

About 1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid

1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid (PubChem CID 175052952) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid
PubChem CID175052952
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(OCCO)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C11H12O4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-7-8-15-10-4-1-9(2-5-10)3-6-11(13)14/h1-10H;1-6,12H,7-8H2,(H,13,14)/b;6-3+
InChIKeyRXMXTGPJLDPLHM-GNRCENTLSA-N
XLogP4.51
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;3-[4-(6-hydroxyhexoxy)phenyl]prop-2-enoic acid
CID 175055126
3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 50742117
3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid
CID 70144087
3-[4-(4-propoxyphenyl)phenyl]prop-2-enoic acid
CID 67745559
3-[4-(2-phenylethoxy)phenyl]prop-2-enoic acid
CID 4715298
3-[4-[2-[bis(2-hydroxyethyl)amino]ethoxy]phenyl]prop-2-enoic acid
CID 76909195
(E)-3-[4-(3,3,3-triphenylpropoxy)phenyl]prop-2-enoic acid
CID 67569703
(E)-3-[4-[2-(2-hydroxyethylsulfanyl)ethoxy]phenyl]prop-2-enoic acid
CID 94233238
3-[4-(6-chlorohexoxy)phenyl]prop-2-enoic acid
CID 68524192
3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one
CID 67799567
3-[4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22679956
3-(4-decoxyphenyl)prop-2-enoic acid
CID 3472198

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid?
The IUPAC name of 1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid (CID 175052952) is 1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for 1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for 1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(OCCO)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid?
The InChIKey is RXMXTGPJLDPLHM-GNRCENTLSA-N. The full InChI is InChI=1S/C12H10.C11H12O4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-7-8-15-10-4-1-9(2-5-10)3-6-11(13)14/h1-10H;1-6,12H,7-8H2,(H,13,14)/b;6-3+.
What are the key properties of 1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid?
1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid has a molecular weight of 362.43 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 175052952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).