2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene

C17H24BrFO — CID 63458044

IUPAC2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene
SMILESCC1CCC(C(C)C)C(OCc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C17H24BrFO/c1-11(2)14-6-4-12(3)8-17(14)20-10-13-5-7-16(19)15(18)9-13/h5,7,9,11-12,14,17H,4,6,8,10H2,1-3H3
InChIKeySXINRWOVBMOKFU-UHFFFAOYSA-N
MW343.28 g/mol
LogP5.57
Rot. Bonds4

About 2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene

2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene (PubChem CID 63458044) has the molecular formula C17H24BrFO and a molecular weight of 343.28 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene
PubChem CID63458044
Molecular FormulaC17H24BrFO
Molecular Weight343.28 g/mol
Exact Mass342.10
IUPAC Name2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene
SMILESCC1CCC(C(C)C)C(OCc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C17H24BrFO/c1-11(2)14-6-4-12(3)8-17(14)20-10-13-5-7-16(19)15(18)9-13/h5,7,9,11-12,14,17H,4,6,8,10H2,1-3H3
InChIKeySXINRWOVBMOKFU-UHFFFAOYSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.28
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43104736
2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 105349458
2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine
CID 55195389
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4-nitrobenzene
CID 10661260
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzoic acid
CID 43099520
[3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 114479302
2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401565
[3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 102663486
CID 136740321
CID 136740321
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43101222
1-[ethoxy-[2-[ethoxy-[4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]phenyl]phosphoryl]ethynyl]phosphoryl]-4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene
CID 102072005
2,6-bis[2-[6-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-2-pyridinyl]ethynyl]pyridine
CID 101195744

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene?
The IUPAC name of 2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene (CID 63458044) is 2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene?
The canonical SMILES for 2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene is CC1CCC(C(C)C)C(OCc2ccc(F)c(Br)c2)C1.
What is the InChIKey of 2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene?
The InChIKey is SXINRWOVBMOKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFO/c1-11(2)14-6-4-12(3)8-17(14)20-10-13-5-7-16(19)15(18)9-13/h5,7,9,11-12,14,17H,4,6,8,10H2,1-3H3.
What are the key properties of 2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene?
2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene has a molecular weight of 343.28 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene is sourced from PubChem (CID 63458044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).