1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene

C16H23BrO — CID 63458050

IUPAC1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene
SMILESCC1CC(OCc2ccc(Br)cc2)CC(C)(C)C1
InChIInChI=1S/C16H23BrO/c1-12-8-15(10-16(2,3)9-12)18-11-13-4-6-14(17)7-5-13/h4-7,12,15H,8-11H2,1-3H3
InChIKeyRUDUOEKFAARSAM-UHFFFAOYSA-N
MW311.26 g/mol
LogP5.18
Rot. Bonds3

About 1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene

1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene (PubChem CID 63458050) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene
PubChem CID63458050
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene
SMILESCC1CC(OCc2ccc(Br)cc2)CC(C)(C)C1
InChIInChI=1S/C16H23BrO/c1-12-8-15(10-16(2,3)9-12)18-11-13-4-6-14(17)7-5-13/h4-7,12,15H,8-11H2,1-3H3
InChIKeyRUDUOEKFAARSAM-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.26
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 105349666
4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzenecarbothioamide
CID 43128226
3-bromo-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophene
CID 63458381
4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine
CID 62465669
2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 831549
[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]-2-pyridinyl]hydrazine
CID 62464142
N-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine
CID 62465508
3-[(4-bromophenyl)methoxy]azetidine
CID 53409423
N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine
CID 107558162
4-fluoro-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzoic acid
CID 107908566
4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine
CID 80663304
[1-bromo-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-yl]benzene
CID 65016054

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene?
The IUPAC name of 1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene (CID 63458050) is 1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene.
What is the SMILES notation for 1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene?
The canonical SMILES for 1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene is CC1CC(OCc2ccc(Br)cc2)CC(C)(C)C1.
What is the InChIKey of 1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene?
The InChIKey is RUDUOEKFAARSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c1-12-8-15(10-16(2,3)9-12)18-11-13-4-6-14(17)7-5-13/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene?
1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene has a molecular weight of 311.26 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene is sourced from PubChem (CID 63458050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).