1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene

C22H32F2O2 — CID 19793013

IUPAC1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene
SMILESCCC1CCC(C2CCC(COc3ccc(OC)c(F)c3F)CC2)CC1
InChIInChI=1S/C22H32F2O2/c1-3-15-4-8-17(9-5-15)18-10-6-16(7-11-18)14-26-20-13-12-19(25-2)21(23)22(20)24/h12-13,15-18H,3-11,14H2,1-2H3
InChIKeyQXVWHHVNWXGCQG-UHFFFAOYSA-N
MW366.49 g/mol
LogP6.38
Rot. Bonds6

About 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene

1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene (PubChem CID 19793013) has the molecular formula C22H32F2O2 and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene
PubChem CID19793013
Molecular FormulaC22H32F2O2
Molecular Weight366.49 g/mol
Exact Mass366.24
IUPAC Name1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene
SMILESCCC1CCC(C2CCC(COc3ccc(OC)c(F)c3F)CC2)CC1
InChIInChI=1S/C22H32F2O2/c1-3-15-4-8-17(9-5-15)18-10-6-16(7-11-18)14-26-20-13-12-19(25-2)21(23)22(20)24/h12-13,15-18H,3-11,14H2,1-2H3
InChIKeyQXVWHHVNWXGCQG-UHFFFAOYSA-N
XLogP6.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene?
The IUPAC name of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene (CID 19793013) is 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene.
What is the SMILES notation for 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene?
The canonical SMILES for 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene is CCC1CCC(C2CCC(COc3ccc(OC)c(F)c3F)CC2)CC1.
What is the InChIKey of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene?
The InChIKey is QXVWHHVNWXGCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2O2/c1-3-15-4-8-17(9-5-15)18-10-6-16(7-11-18)14-26-20-13-12-19(25-2)21(23)22(20)24/h12-13,15-18H,3-11,14H2,1-2H3.
What are the key properties of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene?
1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene has a molecular weight of 366.49 g/mol, XLogP of 6.38, 6 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-methoxybenzene is sourced from PubChem (CID 19793013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).