1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene

C30H26O — CID 175227501

IUPAC1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene
SMILESCCC=COc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H26O/c1-2-3-23-31-28-21-19-27(20-22-28)30(26-17-11-6-12-18-26)29(24-13-7-4-8-14-24)25-15-9-5-10-16-25/h3-23H,2H2,1H3
InChIKeyJVARLMWOZXJWRN-UHFFFAOYSA-N
MW402.54 g/mol
LogP8.00
Rot. Bonds7

About 1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene

1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene (PubChem CID 175227501) has the molecular formula C30H26O and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene.

Molecular Properties

Compound Name1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene
PubChem CID175227501
Molecular FormulaC30H26O
Molecular Weight402.54 g/mol
Exact Mass402.20
IUPAC Name1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene
SMILESCCC=COc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H26O/c1-2-3-23-31-28-21-19-27(20-22-28)30(26-17-11-6-12-18-26)29(24-13-7-4-8-14-24)25-15-9-5-10-16-25/h3-23H,2H2,1H3
InChIKeyJVARLMWOZXJWRN-UHFFFAOYSA-N
XLogP8.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-but-1-enoxy]benzene;ethane
CID 143220778
1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene
CID 58942110
4-(4-pent-1-enoxyphenyl)benzoic acid
CID 57036300
but-1-enylperoxybenzene
CID 140759609
1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene
CID 156703039
1-methyl-4-[(4-methylphenoxy)methoxy]benzene;1-methyl-4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]benzene
CID 158021334
[4-(4-but-1-enoxybenzoyl)-1,4-dihydroxy-3-methylcyclohexa-2,5-dien-1-yl]-(4-but-1-enoxyphenyl)methanone
CID 68507685
4-pent-1-enoxybenzoyl chloride
CID 139792232
1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161
methyl (Z)-4-phenoxybut-3-enoate
CID 5371920
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875

Frequently Asked Questions

What is the IUPAC name of 1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene?
The IUPAC name of 1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene (CID 175227501) is 1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene.
What is the SMILES notation for 1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene?
The canonical SMILES for 1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene is CCC=COc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene?
The InChIKey is JVARLMWOZXJWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O/c1-2-3-23-31-28-21-19-27(20-22-28)30(26-17-11-6-12-18-26)29(24-13-7-4-8-14-24)25-15-9-5-10-16-25/h3-23H,2H2,1H3.
What are the key properties of 1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene?
1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene has a molecular weight of 402.54 g/mol, XLogP of 8.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene is sourced from PubChem (CID 175227501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).