2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene

C22H30F2O2 — CID 20783054

IUPAC2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene
SMILESC=CCOC1CCC(C2CCC(c3ccc(OC)c(F)c3F)CC2)CC1
InChIInChI=1S/C22H30F2O2/c1-3-14-26-18-10-8-16(9-11-18)15-4-6-17(7-5-15)19-12-13-20(25-2)22(24)21(19)23/h3,12-13,15-18H,1,4-11,14H2,2H3
InChIKeyPTLKSNCCLZYBTQ-UHFFFAOYSA-N
MW364.48 g/mol
LogP6.01
Rot. Bonds6

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

2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene (PubChem CID 20783054) has the molecular formula C22H30F2O2 and a molecular weight of 364.48 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene
PubChem CID20783054
Molecular FormulaC22H30F2O2
Molecular Weight364.48 g/mol
Exact Mass364.22
IUPAC Name2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene
SMILESC=CCOC1CCC(C2CCC(c3ccc(OC)c(F)c3F)CC2)CC1
InChIInChI=1S/C22H30F2O2/c1-3-14-26-18-10-8-16(9-11-18)15-4-6-17(7-5-15)19-12-13-20(25-2)22(24)21(19)23/h3,12-13,15-18H,1,4-11,14H2,2H3
InChIKeyPTLKSNCCLZYBTQ-UHFFFAOYSA-N
XLogP6.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.48
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-ethenoxycyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 20783056
2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene
CID 90128781
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 118967004
1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 126759194
2,3-difluoro-1-methoxy-4-[4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]benzene
CID 20621725
2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870126
2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 118967051
2,3-difluoro-1-octoxy-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]benzene
CID 20621633
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868521
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene
CID 145436427

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene?
The IUPAC name of 2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene (CID 20783054) is 2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene is C=CCOC1CCC(C2CCC(c3ccc(OC)c(F)c3F)CC2)CC1.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene?
The InChIKey is PTLKSNCCLZYBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2O2/c1-3-14-26-18-10-8-16(9-11-18)15-4-6-17(7-5-15)19-12-13-20(25-2)22(24)21(19)23/h3,12-13,15-18H,1,4-11,14H2,2H3.
What are the key properties of 2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene?
2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene has a molecular weight of 364.48 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 20783054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).