1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene

C25H26O2 — CID 173277098

IUPAC1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
SMILESCCOc1ccc(C(CC)=C(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26O2/c1-4-24(19-11-17-23(18-12-19)27-5-2)25(20-9-7-6-8-10-20)21-13-15-22(26-3)16-14-21/h6-18H,4-5H2,1-3H3
InChIKeyDSTVDEYUARTFCD-UHFFFAOYSA-N
MW358.48 g/mol
LogP6.46
Rot. Bonds7

About 1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene

1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene (PubChem CID 173277098) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
PubChem CID173277098
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
SMILESCCOc1ccc(C(CC)=C(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26O2/c1-4-24(19-11-17-23(18-12-19)27-5-2)25(20-9-7-6-8-10-20)21-13-15-22(26-3)16-14-21/h6-18H,4-5H2,1-3H3
InChIKeyDSTVDEYUARTFCD-UHFFFAOYSA-N
XLogP6.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 158268818
(E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal
CID 89258153
[3-methoxy-5-[(E)-2-(4-methoxyphenyl)-1-phenylbut-1-enyl]phenyl]boronic acid
CID 164810567
1-(5-bromopentoxy)-4-(1,2-diphenylbut-1-enyl)benzene
CID 67653107
1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine
CID 175021348
2-[4-[(E)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 177403376
(2S,3S)-2-[[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]methyl]-3-methyloxirane
CID 88751480
2-[4-[(Z)-1-(4-chlorophenyl)-2-(4-methoxyphenyl)but-1-enyl]phenoxy]ethanamine
CID 171715851
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene?
The IUPAC name of 1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene (CID 173277098) is 1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene.
What is the SMILES notation for 1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene?
The canonical SMILES for 1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene is CCOc1ccc(C(CC)=C(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene?
The InChIKey is DSTVDEYUARTFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O2/c1-4-24(19-11-17-23(18-12-19)27-5-2)25(20-9-7-6-8-10-20)21-13-15-22(26-3)16-14-21/h6-18H,4-5H2,1-3H3.
What are the key properties of 1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene?
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene has a molecular weight of 358.48 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene is sourced from PubChem (CID 173277098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).