4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene

C14H19BrO — CID 10684359

IUPAC4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene
SMILESCOc1ccc(Br)cc1C1(C)CCCCC1
InChIInChI=1S/C14H19BrO/c1-14(8-4-3-5-9-14)12-10-11(15)6-7-13(12)16-2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyZYDOULRBSVMBEN-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.68
Rot. Bonds2

About 4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene

4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene (PubChem CID 10684359) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene.

Molecular Properties

Compound Name4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene
PubChem CID10684359
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene
SMILESCOc1ccc(Br)cc1C1(C)CCCCC1
InChIInChI=1S/C14H19BrO/c1-14(8-4-3-5-9-14)12-10-11(15)6-7-13(12)16-2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyZYDOULRBSVMBEN-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine
CID 83693943
4-bromo-1-(ethoxymethoxy)-2-(1-methylcyclohexyl)benzene
CID 121417507
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
CID 117457081
3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane
CID 116875930
1-(4-bromo-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498389
methyl 1-(5-bromo-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842825
[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874725
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052
2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79061363
2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762679
[2-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82124722
1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropane-1-carboxylic acid
CID 116874689

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene?
The IUPAC name of 4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene (CID 10684359) is 4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene.
What is the SMILES notation for 4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene?
The canonical SMILES for 4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene is COc1ccc(Br)cc1C1(C)CCCCC1.
What is the InChIKey of 4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene?
The InChIKey is ZYDOULRBSVMBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-14(8-4-3-5-9-14)12-10-11(15)6-7-13(12)16-2/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene?
4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene has a molecular weight of 283.21 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene is sourced from PubChem (CID 10684359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).