1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene

C24H34F2O2 — CID 162428612

IUPAC1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
SMILESCC1CCC(C2CCC(COc3ccc(OCC4CC4)c(F)c3F)CC2)CC1
InChIInChI=1S/C24H34F2O2/c1-16-2-8-19(9-3-16)20-10-6-18(7-11-20)15-28-22-13-12-21(23(25)24(22)26)27-14-17-4-5-17/h12-13,16-20H,2-11,14-15H2,1H3
InChIKeyLHELNAVZAZAEBW-UHFFFAOYSA-N
MW392.53 g/mol
LogP6.77
Rot. Bonds7

About 1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene

1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene (PubChem CID 162428612) has the molecular formula C24H34F2O2 and a molecular weight of 392.53 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
PubChem CID162428612
Molecular FormulaC24H34F2O2
Molecular Weight392.53 g/mol
Exact Mass392.25
IUPAC Name1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
SMILESCC1CCC(C2CCC(COc3ccc(OCC4CC4)c(F)c3F)CC2)CC1
InChIInChI=1S/C24H34F2O2/c1-16-2-8-19(9-3-16)20-10-6-18(7-11-20)15-28-22-13-12-21(23(25)24(22)26)27-14-17-4-5-17/h12-13,16-20H,2-11,14-15H2,1H3
InChIKeyLHELNAVZAZAEBW-UHFFFAOYSA-N
XLogP6.77
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 ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]methoxy]benzene
CID 139334314
2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
CID 145011796
1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene
CID 19792980
2,3-difluoro-1-[(4-methylcyclohexyl)methoxy]-4-[(E)-prop-1-enoxy]benzene
CID 90161461
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene
CID 143507707
2,3-difluoro-1-methoxy-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene
CID 19792983
2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 144724169
1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)
CID 58058726
3-fluoro-1-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]-4-[(4-methylcyclohexyl)methoxy]-2-(trifluoromethyl)benzene
CID 154547462
2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 145151818

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene?
The IUPAC name of 1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene (CID 162428612) is 1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene.
What is the SMILES notation for 1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene?
The canonical SMILES for 1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene is CC1CCC(C2CCC(COc3ccc(OCC4CC4)c(F)c3F)CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene?
The InChIKey is LHELNAVZAZAEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2O2/c1-16-2-8-19(9-3-16)20-10-6-18(7-11-20)15-28-22-13-12-21(23(25)24(22)26)27-14-17-4-5-17/h12-13,16-20H,2-11,14-15H2,1H3.
What are the key properties of 1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene?
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene has a molecular weight of 392.53 g/mol, XLogP of 6.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene is sourced from PubChem (CID 162428612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).