2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene

C18H26F2O — CID 53418387

IUPAC2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(OC)c(F)c2F)CC1
InChIInChI=1S/C18H26F2O/c1-3-4-5-6-13-7-9-14(10-8-13)15-11-12-16(21-2)18(20)17(15)19/h11-14H,3-10H2,1-2H3
InChIKeyCZAXFMSQELIWGA-UHFFFAOYSA-N
MW296.40 g/mol
LogP5.83
Rot. Bonds6

About 2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene

2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene (PubChem CID 53418387) has the molecular formula C18H26F2O and a molecular weight of 296.40 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene
PubChem CID53418387
Molecular FormulaC18H26F2O
Molecular Weight296.40 g/mol
Exact Mass296.20
IUPAC Name2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(OC)c(F)c2F)CC1
InChIInChI=1S/C18H26F2O/c1-3-4-5-6-13-7-9-14(10-8-13)15-11-12-16(21-2)18(20)17(15)19/h11-14H,3-10H2,1-2H3
InChIKeyCZAXFMSQELIWGA-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.40
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
2,3-difluoro-1-octoxy-4-(4-octylcyclohexyl)benzene
CID 19103732
2,3-difluoro-1-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]-4-pentoxybenzene
CID 67896005
2-(4-butylcyclohexyl)-6-(2,3-difluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837372
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene
CID 162516345
2,3-difluoro-1-[4-(4-hexylcyclohexyl)cyclohexyl]-4-pentoxybenzene
CID 134358391
1-[2,3-difluoro-4-(4-octylcyclohexyl)phenyl]-2,3-difluoro-4-pentoxybenzene
CID 134358701
2,3-difluoro-1-[4-(4-heptylcyclohexyl)cyclohexyl]-4-propoxybenzene
CID 134358385
1-[2,3-difluoro-4-(4-octylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358699
1-ethoxy-2,3-difluoro-4-[4-[1-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 19103586

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene?
The IUPAC name of 2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene (CID 53418387) is 2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene is CCCCCC1CCC(c2ccc(OC)c(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene?
The InChIKey is CZAXFMSQELIWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2O/c1-3-4-5-6-13-7-9-14(10-8-13)15-11-12-16(21-2)18(20)17(15)19/h11-14H,3-10H2,1-2H3.
What are the key properties of 2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene?
2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene has a molecular weight of 296.40 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene is sourced from PubChem (CID 53418387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).