1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene

C24H30O — CID 130375964

IUPAC1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene
SMILESC=Cc1ccc(CCOc2ccc(CC3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C24H30O/c1-3-20-8-10-21(11-9-20)16-17-25-24-14-12-23(13-15-24)18-22-6-4-19(2)5-7-22/h3,8-15,19,22H,1,4-7,16-18H2,2H3
InChIKeySFJKPHFWQIPUIU-UHFFFAOYSA-N
MW334.50 g/mol
LogP6.32
Rot. Bonds7

About 1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene

1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene (PubChem CID 130375964) has the molecular formula C24H30O and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene
PubChem CID130375964
Molecular FormulaC24H30O
Molecular Weight334.50 g/mol
Exact Mass334.23
IUPAC Name1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene
SMILESC=Cc1ccc(CCOc2ccc(CC3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C24H30O/c1-3-20-8-10-21(11-9-20)16-17-25-24-14-12-23(13-15-24)18-22-6-4-19(2)5-7-22/h3,8-15,19,22H,1,4-7,16-18H2,2H3
InChIKeySFJKPHFWQIPUIU-UHFFFAOYSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene?
The IUPAC name of 1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene (CID 130375964) is 1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene.
What is the SMILES notation for 1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene?
The canonical SMILES for 1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene is C=Cc1ccc(CCOc2ccc(CC3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene?
The InChIKey is SFJKPHFWQIPUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O/c1-3-20-8-10-21(11-9-20)16-17-25-24-14-12-23(13-15-24)18-22-6-4-19(2)5-7-22/h3,8-15,19,22H,1,4-7,16-18H2,2H3.
What are the key properties of 1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene?
1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene has a molecular weight of 334.50 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[2-[4-[(4-methylcyclohexyl)methyl]phenoxy]ethyl]benzene is sourced from PubChem (CID 130375964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).