6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene

C24H32BrIO — CID 126757460

IUPAC6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene
SMILESCC(C)CCC(C)(C)C1CCC(Oc2ccc3cc(Br)ccc3c2I)CC1
InChIInChI=1S/C24H32BrIO/c1-16(2)13-14-24(3,4)18-6-9-20(10-7-18)27-22-12-5-17-15-19(25)8-11-21(17)23(22)26/h5,8,11-12,15-16,18,20H,6-7,9-10,13-14H2,1-4H3
InChIKeyFRQYCPCRCWXJGP-UHFFFAOYSA-N
MW543.33 g/mol
LogP8.61
Rot. Bonds6

About 6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene

6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene (PubChem CID 126757460) has the molecular formula C24H32BrIO and a molecular weight of 543.33 g/mol. Its IUPAC name is 6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene.

Molecular Properties

Compound Name6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene
PubChem CID126757460
Molecular FormulaC24H32BrIO
Molecular Weight543.33 g/mol
Exact Mass542.07
IUPAC Name6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene
SMILESCC(C)CCC(C)(C)C1CCC(Oc2ccc3cc(Br)ccc3c2I)CC1
InChIInChI=1S/C24H32BrIO/c1-16(2)13-14-24(3,4)18-6-9-20(10-7-18)27-22-12-5-17-15-19(25)8-11-21(17)23(22)26/h5,8,11-12,15-16,18,20H,6-7,9-10,13-14H2,1-4H3
InChIKeyFRQYCPCRCWXJGP-UHFFFAOYSA-N
XLogP8.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.33
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene
CID 123862980
methyl 4-[5-iodo-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]-4-nitropentanoate
CID 86642918
3-(1,6-dibromonaphthalen-2-yl)oxyazetidine
CID 53409373
7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane
CID 144562269
2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine
CID 67414258
ethyl 1-[[5-iodo-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 90051440
3-(5-bromo-2-cyclopropyloxyphenyl)-2-methylpropanoic acid
CID 117481881
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
4-bromo-1-cyclopropyloxy-2-(2-methoxyethylsulfanyl)benzene
CID 165465965
(2S,4S)-4-(1,6-dibromonaphthalen-2-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 56831326
(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol
CID 67413963
2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene
CID 68607969

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene?
The IUPAC name of 6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene (CID 126757460) is 6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene.
What is the SMILES notation for 6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene?
The canonical SMILES for 6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene is CC(C)CCC(C)(C)C1CCC(Oc2ccc3cc(Br)ccc3c2I)CC1.
What is the InChIKey of 6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene?
The InChIKey is FRQYCPCRCWXJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrIO/c1-16(2)13-14-24(3,4)18-6-9-20(10-7-18)27-22-12-5-17-15-19(25)8-11-21(17)23(22)26/h5,8,11-12,15-16,18,20H,6-7,9-10,13-14H2,1-4H3.
What are the key properties of 6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene?
6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene has a molecular weight of 543.33 g/mol, XLogP of 8.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-(2,5-dimethylhexan-2-yl)cyclohexyl]oxy-1-iodonaphthalene is sourced from PubChem (CID 126757460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).