1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene

C24H34F2O2 — CID 90161576

IUPAC1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
SMILESC/C=C/Oc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F
InChIInChI=1S/C24H34F2O2/c1-3-15-27-21-13-14-22(24(26)23(21)25)28-16-18-7-11-20(12-8-18)19-9-5-17(4-2)6-10-19/h3,13-15,17-20H,4-12,16H2,1-2H3/b15-3+
InChIKeyNANMOYUYHOVQKH-CRKCGEKBSA-N
MW392.53 g/mol
LogP7.28
Rot. Bonds7

About 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene

1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene (PubChem CID 90161576) has the molecular formula C24H34F2O2 and a molecular weight of 392.53 g/mol. Its IUPAC name is 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene.

Molecular Properties

Compound Name1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
PubChem CID90161576
Molecular FormulaC24H34F2O2
Molecular Weight392.53 g/mol
Exact Mass392.25
IUPAC Name1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
SMILESC/C=C/Oc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F
InChIInChI=1S/C24H34F2O2/c1-3-15-27-21-13-14-22(24(26)23(21)25)28-16-18-7-11-20(12-8-18)19-9-5-17(4-2)6-10-19/h3,13-15,17-20H,4-12,16H2,1-2H3/b15-3+
InChIKeyNANMOYUYHOVQKH-CRKCGEKBSA-N
XLogP7.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-1-[(4-methylcyclohexyl)methoxy]-4-[(E)-prop-1-enoxy]benzene
CID 90161461
1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90161464
1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene
CID 19792980
2,3-difluoro-1-prop-1-enoxy-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]phenyl]benzene
CID 123181388
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-(4-prop-1-enylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 77440399
1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene
CID 145231747
2-[4-[[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967587
2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 90161639
2,3-difluoro-1-[(Z)-prop-1-enoxy]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358464
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzonitrile
CID 23052033

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene?
The IUPAC name of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene (CID 90161576) is 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene.
What is the SMILES notation for 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene?
The canonical SMILES for 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene is C/C=C/Oc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene?
The InChIKey is NANMOYUYHOVQKH-CRKCGEKBSA-N. The full InChI is InChI=1S/C24H34F2O2/c1-3-15-27-21-13-14-22(24(26)23(21)25)28-16-18-7-11-20(12-8-18)19-9-5-17(4-2)6-10-19/h3,13-15,17-20H,4-12,16H2,1-2H3/b15-3+.
What are the key properties of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene?
1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene has a molecular weight of 392.53 g/mol, XLogP of 7.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene is sourced from PubChem (CID 90161576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).