1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene

C31H30O2 — CID 121473019

IUPAC1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCCOCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C31H30O2/c1-2-30(26-14-8-4-9-15-26)31(27-16-10-5-11-17-27)28-18-20-29(21-19-28)33-23-22-32-24-25-12-6-3-7-13-25/h3-21H,2,22-24H2,1H3/b31-30-
InChIKeyYXEQAFGBDKSNKK-KTMFPKCZSA-N
MW434.58 g/mol
LogP7.65
Rot. Bonds10

About 1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene

1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene (PubChem CID 121473019) has the molecular formula C31H30O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene.

Molecular Properties

Compound Name1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene
PubChem CID121473019
Molecular FormulaC31H30O2
Molecular Weight434.58 g/mol
Exact Mass434.22
IUPAC Name1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCCOCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C31H30O2/c1-2-30(26-14-8-4-9-15-26)31(27-16-10-5-11-17-27)28-18-20-29(21-19-28)33-23-22-32-24-25-12-6-3-7-13-25/h3-21H,2,22-24H2,1H3/b31-30-
InChIKeyYXEQAFGBDKSNKK-KTMFPKCZSA-N
XLogP7.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
1-(6-chlorohexoxy)-4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)but-1-enyl]benzene
CID 67653312
4-[(E)-4-chloro-1-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-1-en-2-yl]phenol
CID 22504567
1-chloro-4-[(Z)-4-chloro-2-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-1-enyl]benzene
CID 22504532
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
1-(5-bromopentoxy)-4-(1,2-diphenylbut-1-enyl)benzene
CID 67653107
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenylmethoxyphenyl)but-1-enyl]phenol
CID 70684715
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 54613017
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
1-phenylmethoxy-4-[(Z)-2-phenyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]but-1-enyl]benzene
CID 140928916
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene?
The IUPAC name of 1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene (CID 121473019) is 1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene.
What is the SMILES notation for 1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene?
The canonical SMILES for 1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene is CC/C(=C(\c1ccccc1)c1ccc(OCCOCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene?
The InChIKey is YXEQAFGBDKSNKK-KTMFPKCZSA-N. The full InChI is InChI=1S/C31H30O2/c1-2-30(26-14-8-4-9-15-26)31(27-16-10-5-11-17-27)28-18-20-29(21-19-28)33-23-22-32-24-25-12-6-3-7-13-25/h3-21H,2,22-24H2,1H3/b31-30-.
What are the key properties of 1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene?
1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene has a molecular weight of 434.58 g/mol, XLogP of 7.65, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene is sourced from PubChem (CID 121473019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).