4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile

C22H17NO2 — CID 129137301

IUPAC4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile
SMILESN#CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C22H17NO2/c23-15-14-21(16-4-2-1-3-5-16)22(17-6-10-19(24)11-7-17)18-8-12-20(25)13-9-18/h1-13,24-25H,14H2
InChIKeyMFNUUSKORIZHNY-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.97
Rot. Bonds4

About 4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile

4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile (PubChem CID 129137301) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile.

Molecular Properties

Compound Name4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile
PubChem CID129137301
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile
SMILESN#CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C22H17NO2/c23-15-14-21(16-4-2-1-3-5-16)22(17-6-10-19(24)11-7-17)18-8-12-20(25)13-9-18/h1-13,24-25H,14H2
InChIKeyMFNUUSKORIZHNY-UHFFFAOYSA-N
XLogP4.97
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenol;1,2,2-triphenylethenylbenzene
CID 159416986
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
CID 177122959
2-hydroxyacetonitrile;phenol
CID 174534012
4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol
CID 118887290
4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol
CID 175920876
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)-3-phenylprop-2-enenitrile
CID 154089927
4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol
CID 141454768
4-[10-(2-aminoethylamino)-1-(4-hydroxyphenyl)-2-phenyldec-1-enyl]phenol
CID 100918693
6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile
CID 101266071
phenol;bis(yttrium);dihydrate
CID 168770922

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile?
The IUPAC name of 4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile (CID 129137301) is 4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile.
What is the SMILES notation for 4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile?
The canonical SMILES for 4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile is N#CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile?
The InChIKey is MFNUUSKORIZHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c23-15-14-21(16-4-2-1-3-5-16)22(17-6-10-19(24)11-7-17)18-8-12-20(25)13-9-18/h1-13,24-25H,14H2.
What are the key properties of 4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile?
4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile has a molecular weight of 327.38 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-hydroxyphenyl)-3-phenylbut-3-enenitrile is sourced from PubChem (CID 129137301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).