2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol

C24H24O2 — CID 141187864

IUPAC2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol
SMILESCCC(=C(c1ccccc1)c1ccccc1)c1cccc(OCCO)c1
InChIInChI=1S/C24H24O2/c1-2-23(21-14-9-15-22(18-21)26-17-16-25)24(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-15,18,25H,2,16-17H2,1H3
InChIKeyFUKGRYWSOQNVML-UHFFFAOYSA-N
MW344.45 g/mol
LogP5.43
Rot. Bonds7

About 2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol

2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol (PubChem CID 141187864) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol
PubChem CID141187864
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol
SMILESCCC(=C(c1ccccc1)c1ccccc1)c1cccc(OCCO)c1
InChIInChI=1S/C24H24O2/c1-2-23(21-14-9-15-22(18-21)26-17-16-25)24(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-15,18,25H,2,16-17H2,1H3
InChIKeyFUKGRYWSOQNVML-UHFFFAOYSA-N
XLogP5.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 16739990
4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol
CID 16740010
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol
CID 166628462
2-[4-[(E)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 177403376
1-(5-bromopentoxy)-4-(1,2-diphenylbut-1-enyl)benzene
CID 67653107
[4-[(Z)-1,2-bis(3-acetyloxyphenyl)but-1-enyl]phenyl] acetate
CID 12787823
3-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 3035880
benzyl 2-[3-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]acetate
CID 10576104
2-[4-[1-(3-bromophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 139774945
1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene
CID 121473019
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol?
The IUPAC name of 2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol (CID 141187864) is 2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol?
The canonical SMILES for 2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol is CCC(=C(c1ccccc1)c1ccccc1)c1cccc(OCCO)c1.
What is the InChIKey of 2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol?
The InChIKey is FUKGRYWSOQNVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2/c1-2-23(21-14-9-15-22(18-21)26-17-16-25)24(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-15,18,25H,2,16-17H2,1H3.
What are the key properties of 2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol?
2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol has a molecular weight of 344.45 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol is sourced from PubChem (CID 141187864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).