1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene

C24H31FO — CID 67791440

IUPAC1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(OCC3CCC(CC)CC3)c(F)c2)cc1
InChIInChI=1S/C24H31FO/c1-3-5-19-10-12-21(13-11-19)22-14-15-24(23(25)16-22)26-17-20-8-6-18(4-2)7-9-20/h10-16,18,20H,3-9,17H2,1-2H3
InChIKeyFXYJDBMUZZOYMK-UHFFFAOYSA-N
MW354.51 g/mol
LogP7.04
Rot. Bonds7

About 1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene

1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene (PubChem CID 67791440) has the molecular formula C24H31FO and a molecular weight of 354.51 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene
PubChem CID67791440
Molecular FormulaC24H31FO
Molecular Weight354.51 g/mol
Exact Mass354.24
IUPAC Name1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(OCC3CCC(CC)CC3)c(F)c2)cc1
InChIInChI=1S/C24H31FO/c1-3-5-19-10-12-21(13-11-19)22-14-15-24(23(25)16-22)26-17-20-8-6-18(4-2)7-9-20/h10-16,18,20H,3-9,17H2,1-2H3
InChIKeyFXYJDBMUZZOYMK-UHFFFAOYSA-N
XLogP7.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.51
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
2-fluoro-1-[(4-pentylcyclohexyl)methoxy]-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19008189
1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohexyl]methoxy]benzene
CID 118595885
2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine
CID 19839952
2-fluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene
CID 101490841
2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene
CID 118474676
1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
CID 67806514
2-[4-(cyclohexylmethoxy)-3-fluorophenyl]-5-octylpyrimidine
CID 173349617
4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride
CID 90026685
1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene
CID 146353183
4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol
CID 172690145
(E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine
CID 66982673

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene?
The IUPAC name of 1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene (CID 67791440) is 1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(OCC3CCC(CC)CC3)c(F)c2)cc1.
What is the InChIKey of 1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene?
The InChIKey is FXYJDBMUZZOYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FO/c1-3-5-19-10-12-21(13-11-19)22-14-15-24(23(25)16-22)26-17-20-8-6-18(4-2)7-9-20/h10-16,18,20H,3-9,17H2,1-2H3.
What are the key properties of 1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene?
1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene has a molecular weight of 354.51 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene is sourced from PubChem (CID 67791440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).