2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene

C28H30F2O2 — CID 159272592

IUPAC2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene
SMILESCCCc1ccc(OC2CCC(OCc3ccc(F)cc3)CC2)cc1-c1cccc(F)c1
InChIInChI=1S/C28H30F2O2/c1-2-4-21-9-12-27(18-28(21)22-5-3-6-24(30)17-22)32-26-15-13-25(14-16-26)31-19-20-7-10-23(29)11-8-20/h3,5-12,17-18,25-26H,2,4,13-16,19H2,1H3
InChIKeyMWIKXFQPHLNEBU-UHFFFAOYSA-N
MW436.54 g/mol
LogP7.49
Rot. Bonds8

About 2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene

2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene (PubChem CID 159272592) has the molecular formula C28H30F2O2 and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene
PubChem CID159272592
Molecular FormulaC28H30F2O2
Molecular Weight436.54 g/mol
Exact Mass436.22
IUPAC Name2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene
SMILESCCCc1ccc(OC2CCC(OCc3ccc(F)cc3)CC2)cc1-c1cccc(F)c1
InChIInChI=1S/C28H30F2O2/c1-2-4-21-9-12-27(18-28(21)22-5-3-6-24(30)17-22)32-26-15-13-25(14-16-26)31-19-20-7-10-23(29)11-8-20/h3,5-12,17-18,25-26H,2,4,13-16,19H2,1H3
InChIKeyMWIKXFQPHLNEBU-UHFFFAOYSA-N
XLogP7.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

acetaldehyde;4-[4-[(2-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)-1-propylbenzene
CID 159057155
N-[2-[4-[4-[(4-bromophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 134281004
N-[2-[4-[4-[(2-bromophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 134280937
N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide
CID 144986039
N-[2-[2-(3-fluorophenyl)-4-(4-piperidin-4-ylcyclohexyl)oxyphenyl]ethyl]acetamide
CID 71695640
5-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(4-chloro-2-methoxyphenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[4-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(2-methoxy-4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;5-[2-(3-fluorophenyl)-4-[4-[(4-methylphenyl)methoxy]cyclohexyl]oxyphenyl]pentan-2-one;methane
CID 159274058
(2S,3R,4R,5R,6S)-2-[3-(3-fluorophenyl)-4-propylphenoxy]-5-methyl-6-phenyloxane-3,4-diol
CID 161166473
N-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide
CID 144986038
1-fluoro-3-(4-methylcyclohexyl)oxybenzene
CID 64764366
1-(4-ethylcyclohexyl)oxy-3-fluorobenzene
CID 64766217
5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one
CID 147101331
N-[2-[4-(3,4-dihydroxyoxolan-2-yl)oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 134297173

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene?
The IUPAC name of 2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene (CID 159272592) is 2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene?
The canonical SMILES for 2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene is CCCc1ccc(OC2CCC(OCc3ccc(F)cc3)CC2)cc1-c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene?
The InChIKey is MWIKXFQPHLNEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2O2/c1-2-4-21-9-12-27(18-28(21)22-5-3-6-24(30)17-22)32-26-15-13-25(14-16-26)31-19-20-7-10-23(29)11-8-20/h3,5-12,17-18,25-26H,2,4,13-16,19H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene?
2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene has a molecular weight of 436.54 g/mol, XLogP of 7.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene is sourced from PubChem (CID 159272592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).