4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene

C17H24BrFO — CID 63473181

IUPAC4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene
SMILESCCCC1CCC(Br)C(Cc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C17H24BrFO/c1-3-4-12-5-7-15(18)14(9-12)10-13-6-8-17(20-2)16(19)11-13/h6,8,11-12,14-15H,3-5,7,9-10H2,1-2H3
InChIKeyOULVBFOWICGUIA-UHFFFAOYSA-N
MW343.28 g/mol
LogP5.36
Rot. Bonds5

About 4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene

4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene (PubChem CID 63473181) has the molecular formula C17H24BrFO and a molecular weight of 343.28 g/mol. Its IUPAC name is 4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene
PubChem CID63473181
Molecular FormulaC17H24BrFO
Molecular Weight343.28 g/mol
Exact Mass342.10
IUPAC Name4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene
SMILESCCCC1CCC(Br)C(Cc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C17H24BrFO/c1-3-4-12-5-7-15(18)14(9-12)10-13-6-8-17(20-2)16(19)11-13/h6,8,11-12,14-15H,3-5,7,9-10H2,1-2H3
InChIKeyOULVBFOWICGUIA-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.28
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-bromo-5-ethylcyclohexyl)methyl]-1,2-difluorobenzene
CID 82930424
4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene
CID 107897027
1-[(2-bromo-5-propylcyclohexyl)methyl]-2,3-difluorobenzene
CID 55192642
3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64506176
[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009861
N-[[2-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027411
2-bromo-4-[(3-bromocyclopentyl)methyl]-1-methoxybenzene
CID 64507816
4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65020505
1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene
CID 63473365
4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene
CID 139708741
2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383221
[2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012982

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene (CID 63473181) is 4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene is CCCC1CCC(Br)C(Cc2ccc(OC)c(F)c2)C1.
What is the InChIKey of 4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene?
The InChIKey is OULVBFOWICGUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFO/c1-3-4-12-5-7-15(18)14(9-12)10-13-6-8-17(20-2)16(19)11-13/h6,8,11-12,14-15H,3-5,7,9-10H2,1-2H3.
What are the key properties of 4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene?
4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene has a molecular weight of 343.28 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 63473181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).