1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene

C27H35FO — CID 139817390

IUPAC1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene
SMILESCCC1CCC(C2CCC(c3cccc(OCc4ccc(F)cc4)c3)CC2)CC1
InChIInChI=1S/C27H35FO/c1-2-20-6-10-22(11-7-20)23-12-14-24(15-13-23)25-4-3-5-27(18-25)29-19-21-8-16-26(28)17-9-21/h3-5,8-9,16-18,20,22-24H,2,6-7,10-15,19H2,1H3
InChIKeyBOMPUCBRJFAHKO-UHFFFAOYSA-N
MW394.57 g/mol
LogP7.89
Rot. Bonds6

About 1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene

1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene (PubChem CID 139817390) has the molecular formula C27H35FO and a molecular weight of 394.57 g/mol. Its IUPAC name is 1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene
PubChem CID139817390
Molecular FormulaC27H35FO
Molecular Weight394.57 g/mol
Exact Mass394.27
IUPAC Name1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene
SMILESCCC1CCC(C2CCC(c3cccc(OCc4ccc(F)cc4)c3)CC2)CC1
InChIInChI=1S/C27H35FO/c1-2-20-6-10-22(11-7-20)23-12-14-24(15-13-23)25-4-3-5-27(18-25)29-19-21-8-16-26(28)17-9-21/h3-5,8-9,16-18,20,22-24H,2,6-7,10-15,19H2,1H3
InChIKeyBOMPUCBRJFAHKO-UHFFFAOYSA-N
XLogP7.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.57
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-butylcyclohexyl)cyclohexyl]-3-[[3-(trifluoromethoxy)phenyl]methoxy]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-3-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 159409331
1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 67779004
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
(4aR,6R,8aR)-2-ethyl-6-(3-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809252
1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
CID 22440333
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
(4aR,6R,8aR)-2-ethyl-6-[3-fluoro-4-(4-phenylmethoxyphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809203
1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 139817355
ethyl 6-ethyl-4-[3-[(4-fluorophenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845159
1-(3,4-difluorophenyl)-4-(4-ethylcyclohexyl)cycloheptane
CID 130256431
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene?
The IUPAC name of 1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene (CID 139817390) is 1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene is CCC1CCC(C2CCC(c3cccc(OCc4ccc(F)cc4)c3)CC2)CC1.
What is the InChIKey of 1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene?
The InChIKey is BOMPUCBRJFAHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FO/c1-2-20-6-10-22(11-7-20)23-12-14-24(15-13-23)25-4-3-5-27(18-25)29-19-21-8-16-26(28)17-9-21/h3-5,8-9,16-18,20,22-24H,2,6-7,10-15,19H2,1H3.
What are the key properties of 1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene?
1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene has a molecular weight of 394.57 g/mol, XLogP of 7.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylcyclohexyl)cyclohexyl]-3-[(4-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 139817390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).