1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene

C25H26O — CID 71377870

IUPAC1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene
SMILESCOc1ccccc1CCC=C(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C25H26O/c1-19-11-15-21(16-12-19)24(22-17-13-20(2)14-18-22)9-6-8-23-7-4-5-10-25(23)26-3/h4-5,7,9-18H,6,8H2,1-3H3
InChIKeyYKPLWKNPJNZMJB-UHFFFAOYSA-N
MW342.48 g/mol
LogP6.38
Rot. Bonds6

About 1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene

1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene (PubChem CID 71377870) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene
PubChem CID71377870
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene
SMILESCOc1ccccc1CCC=C(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C25H26O/c1-19-11-15-21(16-12-19)24(22-17-13-20(2)14-18-22)9-6-8-23-7-4-5-10-25(23)26-3/h4-5,7,9-18H,6,8H2,1-3H3
InChIKeyYKPLWKNPJNZMJB-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride
CID 90041626
1-methoxy-2-[(E)-4-methoxybut-3-enyl]benzene
CID 101154232
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
(Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83564407
1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
CID 102093677
N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 123310577
1-methoxy-2-[(3R)-3-methylpentyl]benzene
CID 142086575
1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene
CID 11415775
(2-methoxyphenyl)methyl-[2-[(2-methoxyphenyl)methyl-(4-methylphenyl)phosphanyl]ethyl]-(4-methylphenyl)phosphane
CID 23044742
methyl (E)-9-(2-methoxyphenyl)-6-methyl-2-oxonon-6-enoate
CID 46909592

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene?
The IUPAC name of 1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene (CID 71377870) is 1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene.
What is the SMILES notation for 1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene?
The canonical SMILES for 1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene is COc1ccccc1CCC=C(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene?
The InChIKey is YKPLWKNPJNZMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O/c1-19-11-15-21(16-12-19)24(22-17-13-20(2)14-18-22)9-6-8-23-7-4-5-10-25(23)26-3/h4-5,7,9-18H,6,8H2,1-3H3.
What are the key properties of 1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene?
1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene has a molecular weight of 342.48 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene is sourced from PubChem (CID 71377870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).