1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene

C19H28F2O2 — CID 161479920

IUPAC1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene
SMILESCCCCC1CCC(c2cc(OC)c(F)c(F)c2COC)CC1
InChIInChI=1S/C19H28F2O2/c1-4-5-6-13-7-9-14(10-8-13)15-11-17(23-3)19(21)18(20)16(15)12-22-2/h11,13-14H,4-10,12H2,1-3H3
InChIKeyBRMPSXDDJPULQN-UHFFFAOYSA-N
MW326.43 g/mol
LogP5.58
Rot. Bonds7

About 1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene

1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene (PubChem CID 161479920) has the molecular formula C19H28F2O2 and a molecular weight of 326.43 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene
PubChem CID161479920
Molecular FormulaC19H28F2O2
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene
SMILESCCCCC1CCC(c2cc(OC)c(F)c(F)c2COC)CC1
InChIInChI=1S/C19H28F2O2/c1-4-5-6-13-7-9-14(10-8-13)15-11-17(23-3)19(21)18(20)16(15)12-22-2/h11,13-14H,4-10,12H2,1-3H3
InChIKeyBRMPSXDDJPULQN-UHFFFAOYSA-N
XLogP5.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.43
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-4-heptyl-1-methoxy-5-(4-pentylcyclohexyl)benzene;2,3-difluoro-1-methoxy-4-pentyl-5-(4-pentylcyclohexyl)benzene
CID 88609734
2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene
CID 53418387
4-but-3-enyl-2,3-difluoro-1-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 173390288
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-(4-butylcyclohexyl)-4-ethoxy-2,5-difluorobenzene
CID 19103605
2-(4-butylcyclohexyl)-6-(2,3-difluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837372
1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene
CID 139420783
2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 21263652
2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868521
2-(2,3-difluoro-4-methoxyphenyl)-6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837056
1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene
CID 67571251
2,3-difluoro-1-octoxy-4-(4-octylcyclohexyl)benzene
CID 19103732

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene?
The IUPAC name of 1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene (CID 161479920) is 1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene.
What is the SMILES notation for 1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene?
The canonical SMILES for 1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene is CCCCC1CCC(c2cc(OC)c(F)c(F)c2COC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene?
The InChIKey is BRMPSXDDJPULQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2O2/c1-4-5-6-13-7-9-14(10-8-13)15-11-17(23-3)19(21)18(20)16(15)12-22-2/h11,13-14H,4-10,12H2,1-3H3.
What are the key properties of 1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene?
1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene has a molecular weight of 326.43 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene is sourced from PubChem (CID 161479920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).