1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene

C25H34F2O — CID 170196996

IUPAC1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(OCC2=CCC(C3CCC(CC4CCC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C25H34F2O/c1-17-5-14-23(25(27)24(17)26)28-16-20-8-12-22(13-9-20)21-10-6-19(7-11-21)15-18-3-2-4-18/h5,8,14,18-19,21-22H,2-4,6-7,9-13,15-16H2,1H3
InChIKeyBUNNYKOAHDMCCJ-UHFFFAOYSA-N
MW388.54 g/mol
LogP7.38
Rot. Bonds6

About 1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene

1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene (PubChem CID 170196996) has the molecular formula C25H34F2O and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene
PubChem CID170196996
Molecular FormulaC25H34F2O
Molecular Weight388.54 g/mol
Exact Mass388.26
IUPAC Name1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(OCC2=CCC(C3CCC(CC4CCC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C25H34F2O/c1-17-5-14-23(25(27)24(17)26)28-16-20-8-12-22(13-9-20)21-10-6-19(7-11-21)15-18-3-2-4-18/h5,8,14,18-19,21-22H,2-4,6-7,9-13,15-16H2,1H3
InChIKeyBUNNYKOAHDMCCJ-UHFFFAOYSA-N
XLogP7.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene with MolForge

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Related Compounds

1-(cyclopentylmethoxy)-4-[[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluorobenzene
CID 169258990
1-[[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 177267203
[4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite
CID 176948903
1-[[4-[4-(2-cyclopropylethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-4-(cyclopropylmethoxy)-2,3-difluorobenzene
CID 166919685
1-(cyclopentylmethoxy)-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]methoxy]benzene
CID 169258986
1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene
CID 159834105
1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methoxybenzene
CID 170390824
1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene
CID 170391070
2-[4-[(2,3-difluoro-4-methylphenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967271
1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone
CID 118283710
2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
CID 145011796
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene (CID 170196996) is 1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene is Cc1ccc(OCC2=CCC(C3CCC(CC4CCC4)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene?
The InChIKey is BUNNYKOAHDMCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2O/c1-17-5-14-23(25(27)24(17)26)28-16-20-8-12-22(13-9-20)21-10-6-19(7-11-21)15-18-3-2-4-18/h5,8,14,18-19,21-22H,2-4,6-7,9-13,15-16H2,1H3.
What are the key properties of 1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene?
1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene has a molecular weight of 388.54 g/mol, XLogP of 7.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 170196996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).