1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene

C25H34 — CID 20538959

IUPAC1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene
SMILESCCc1ccc(-c2ccc(C3CCC(CC(C)CC)CC3)cc2)cc1
InChIInChI=1S/C25H34/c1-4-19(3)18-21-8-12-23(13-9-21)25-16-14-24(15-17-25)22-10-6-20(5-2)7-11-22/h6-7,10-11,14-17,19,21,23H,4-5,8-9,12-13,18H2,1-3H3
InChIKeyZSWSGMWFJWBCBQ-UHFFFAOYSA-N
MW334.55 g/mol
LogP7.63
Rot. Bonds6

About 1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene

1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene (PubChem CID 20538959) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene
PubChem CID20538959
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene
SMILESCCc1ccc(-c2ccc(C3CCC(CC(C)CC)CC3)cc2)cc1
InChIInChI=1S/C25H34/c1-4-19(3)18-21-8-12-23(13-9-21)25-16-14-24(15-17-25)22-10-6-20(5-2)7-11-22/h6-7,10-11,14-17,19,21,23H,4-5,8-9,12-13,18H2,1-3H3
InChIKeyZSWSGMWFJWBCBQ-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene (CID 20538959) is 1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene is CCc1ccc(-c2ccc(C3CCC(CC(C)CC)CC3)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene?
The InChIKey is ZSWSGMWFJWBCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34/c1-4-19(3)18-21-8-12-23(13-9-21)25-16-14-24(15-17-25)22-10-6-20(5-2)7-11-22/h6-7,10-11,14-17,19,21,23H,4-5,8-9,12-13,18H2,1-3H3.
What are the key properties of 1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene?
1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene has a molecular weight of 334.55 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 20538959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).