3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol

C26H30O — CID 118150545

IUPAC3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol
SMILESCCc1cc(CCCO)ccc1-c1ccc(-c2ccc(C)cc2)c(CC)c1
InChIInChI=1S/C26H30O/c1-4-21-17-20(7-6-16-27)10-14-26(21)24-13-15-25(22(5-2)18-24)23-11-8-19(3)9-12-23/h8-15,17-18,27H,4-7,16H2,1-3H3
InChIKeyLEVRBRFWHRHEGL-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.38
Rot. Bonds7

About 3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol

3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol (PubChem CID 118150545) has the molecular formula C26H30O and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol
PubChem CID118150545
Molecular FormulaC26H30O
Molecular Weight358.53 g/mol
Exact Mass358.23
IUPAC Name3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol
SMILESCCc1cc(CCCO)ccc1-c1ccc(-c2ccc(C)cc2)c(CC)c1
InChIInChI=1S/C26H30O/c1-4-21-17-20(7-6-16-27)10-14-26(21)24-13-15-25(22(5-2)18-24)23-11-8-19(3)9-12-23/h8-15,17-18,27H,4-7,16H2,1-3H3
InChIKeyLEVRBRFWHRHEGL-UHFFFAOYSA-N
XLogP6.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]butan-1-ol;2-[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]ethanol;[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]methanol;5-[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]pentan-1-ol;3-[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]propan-1-ol;4-[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]butan-1-ol;2-[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]ethanol;[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]methanol;5-[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]pentan-1-ol;3-[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol
CID 159856324
3-[2-[3-ethyl-4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methylphenyl]propyl 2-methylprop-2-enoate
CID 134193727
1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene
CID 67950330
5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol
CID 118150631
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206
[3-ethyl-4-(4-propylphenyl)phenyl]methanol
CID 90163510
2-ethyl-1,4-bis(4-ethylphenyl)benzene
CID 157074789
2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 142281639
4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol
CID 22734704
2-[4-[3-ethyl-4-[2-ethyl-4-(3-hydroxypropyl)phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 118699985
3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol
CID 139457480
2-ethyl-1-phenyl-4-propylbenzene
CID 123533420

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol?
The IUPAC name of 3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol (CID 118150545) is 3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol?
The canonical SMILES for 3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol is CCc1cc(CCCO)ccc1-c1ccc(-c2ccc(C)cc2)c(CC)c1.
What is the InChIKey of 3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol?
The InChIKey is LEVRBRFWHRHEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O/c1-4-21-17-20(7-6-16-27)10-14-26(21)24-13-15-25(22(5-2)18-24)23-11-8-19(3)9-12-23/h8-15,17-18,27H,4-7,16H2,1-3H3.
What are the key properties of 3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol?
3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol has a molecular weight of 358.53 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol is sourced from PubChem (CID 118150545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).