1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene

C25H34O — CID 20539326

IUPAC1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene
SMILESCCOc1ccc(-c2ccc(C3CCC(CCC(C)C)CC3)cc2)cc1
InChIInChI=1S/C25H34O/c1-4-26-25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-7-20(8-10-21)6-5-19(2)3/h11-21H,4-10H2,1-3H3
InChIKeyPKIABZZHXKAVEQ-UHFFFAOYSA-N
MW350.55 g/mol
LogP7.46
Rot. Bonds7

About 1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene

1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene (PubChem CID 20539326) has the molecular formula C25H34O and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene
PubChem CID20539326
Molecular FormulaC25H34O
Molecular Weight350.55 g/mol
Exact Mass350.26
IUPAC Name1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene
SMILESCCOc1ccc(-c2ccc(C3CCC(CCC(C)C)CC3)cc2)cc1
InChIInChI=1S/C25H34O/c1-4-26-25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-7-20(8-10-21)6-5-19(2)3/h11-21H,4-10H2,1-3H3
InChIKeyPKIABZZHXKAVEQ-UHFFFAOYSA-N
XLogP7.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3-methylbutyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19702461
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346
[4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]phenyl] acetate
CID 20539097
1-ethoxy-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzene
CID 67864703
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
1-(2-methylheptoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20539361
1-decyl-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene
CID 20539170
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
ethane;[4-(3-methylbutyl)cyclohexyl]benzene
CID 163392259
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene (CID 20539326) is 1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene is CCOc1ccc(-c2ccc(C3CCC(CCC(C)C)CC3)cc2)cc1.
What is the InChIKey of 1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene?
The InChIKey is PKIABZZHXKAVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O/c1-4-26-25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-7-20(8-10-21)6-5-19(2)3/h11-21H,4-10H2,1-3H3.
What are the key properties of 1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene?
1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene has a molecular weight of 350.55 g/mol, XLogP of 7.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 20539326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).