[1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol

C16H23BrO2 — CID 116929655

IUPAC[1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol
SMILESCOc1c(C)c(C)c(Br)c(C)c1CC1(CO)CCC1
InChIInChI=1S/C16H23BrO2/c1-10-11(2)15(19-4)13(12(3)14(10)17)8-16(9-18)6-5-7-16/h18H,5-9H2,1-4H3
InChIKeyYBULYOPPLVMCRJ-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.09
Rot. Bonds4

About [1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol

[1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol (PubChem CID 116929655) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is [1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol
PubChem CID116929655
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name[1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol
SMILESCOc1c(C)c(C)c(Br)c(C)c1CC1(CO)CCC1
InChIInChI=1S/C16H23BrO2/c1-10-11(2)15(19-4)13(12(3)14(10)17)8-16(9-18)6-5-7-16/h18H,5-9H2,1-4H3
InChIKeyYBULYOPPLVMCRJ-UHFFFAOYSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol with MolForge

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Related Compounds

[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol
CID 116928935
2-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methylamino]ethanol
CID 115216219
1-bromo-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932278
2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116859290
[1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol
CID 116929645
2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116928722
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 116927740
2-[1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)cyclopropyl]acetic acid
CID 117107700
N'-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 115195356
3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116926550
2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-(chloromethyl)ethanamine
CID 115263438
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-1-amine
CID 116924825

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol (CID 116929655) is [1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol is COc1c(C)c(C)c(Br)c(C)c1CC1(CO)CCC1.
What is the InChIKey of [1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol?
The InChIKey is YBULYOPPLVMCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-10-11(2)15(19-4)13(12(3)14(10)17)8-16(9-18)6-5-7-16/h18H,5-9H2,1-4H3.
What are the key properties of [1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol?
[1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol has a molecular weight of 327.26 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116929655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).