acetic acid;4-(1,2-diphenylbut-1-enyl)phenol

C24H24O3 — CID 71332420

IUPACacetic acid;4-(1,2-diphenylbut-1-enyl)phenol
SMILESCC(=O)O.CCC(=C(c1ccccc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C22H20O.C2H4O2/c1-2-21(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)19-13-15-20(23)16-14-19;1-2(3)4/h3-16,23H,2H2,1H3;1H3,(H,3,4)
InChIKeyHQTPUCWGPPLDDF-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.85
Rot. Bonds4

About acetic acid;4-(1,2-diphenylbut-1-enyl)phenol

acetic acid;4-(1,2-diphenylbut-1-enyl)phenol (PubChem CID 71332420) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is acetic acid;4-(1,2-diphenylbut-1-enyl)phenol.

Molecular Properties

Compound Nameacetic acid;4-(1,2-diphenylbut-1-enyl)phenol
PubChem CID71332420
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Nameacetic acid;4-(1,2-diphenylbut-1-enyl)phenol
SMILESCC(=O)O.CCC(=C(c1ccccc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C22H20O.C2H4O2/c1-2-21(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)19-13-15-20(23)16-14-19;1-2(3)4/h3-16,23H,2H2,1H3;1H3,(H,3,4)
InChIKeyHQTPUCWGPPLDDF-UHFFFAOYSA-N
XLogP5.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
acetic acid;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 172835225
4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
CID 177122959
N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide
CID 127048581
(E)-3-[4-[(E)-1,2-diphenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 22144591
1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
CID 143267176
4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
CID 72701917
2-[4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenoxy]acetic acid
CID 10620416
4-[1-[3-bromo-4-(2-bromoethyl)phenyl]-2-phenylbut-1-enyl]phenol
CID 141293834
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide
CID 143870405
4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 54613017

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-(1,2-diphenylbut-1-enyl)phenol?
The IUPAC name of acetic acid;4-(1,2-diphenylbut-1-enyl)phenol (CID 71332420) is acetic acid;4-(1,2-diphenylbut-1-enyl)phenol.
What is the SMILES notation for acetic acid;4-(1,2-diphenylbut-1-enyl)phenol?
The canonical SMILES for acetic acid;4-(1,2-diphenylbut-1-enyl)phenol is CC(=O)O.CCC(=C(c1ccccc1)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of acetic acid;4-(1,2-diphenylbut-1-enyl)phenol?
The InChIKey is HQTPUCWGPPLDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O.C2H4O2/c1-2-21(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)19-13-15-20(23)16-14-19;1-2(3)4/h3-16,23H,2H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;4-(1,2-diphenylbut-1-enyl)phenol?
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol has a molecular weight of 360.45 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-(1,2-diphenylbut-1-enyl)phenol is sourced from PubChem (CID 71332420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).